CodeYP4
NameCinacalcet
Synonyms
  • Cinacalcet
  • (R)-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine
  • N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine
  • CNC
  • Cinacalcet hydrochloride
Identifier~{N}-[(1~{R})-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
FormulaC22 H22 F3 N
Molecular Weight357.412
SMILESC[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F
PubChem156419
Formal Charge0
Total Atoms48
Total Chiral Atoms1
Total Bonds50
Total Aromatic Bonds17
Networks6
 missing image

This ligand is also present in the following 6 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7M3F C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4 - 2.8 2021-06-30 10.1038/s41586-021-03691-0

A 2D representation of the interactions of YP4 in 7M3F
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:C661 R:R:F684 2.79 0 No Yes 7 8 2 1
R:R:F684 R:R:S664 5.28 0 Yes No 8 6 1 2
R:R:E837 R:R:F668 7 14 No Yes 9 9 1 2
R:R:F668 R:R:I841 3.77 0 Yes No 9 9 2 2
R:R:Q681 R:R:W742 6.57 14 Yes Yes 9 9 1 2
R:R:E767 R:R:Q681 10.19 14 No Yes 7 9 2 1
R:R:L773 R:R:Q681 5.32 14 Yes Yes 8 9 2 1
R:R:Q681 W:W:?905 6.95 14 Yes Yes 9 0 1 0
R:R:F684 R:R:F688 3.22 0 Yes Yes 8 8 1 2
R:R:F684 R:R:I841 6.28 0 Yes No 8 9 1 2
R:R:F684 W:W:?905 18.16 0 Yes Yes 8 0 1 0
R:R:F688 R:R:F814 10.72 0 Yes Yes 8 9 2 2
R:R:Q735 R:R:T780 5.67 0 Yes No 9 7 2 1
R:R:E767 R:R:L773 2.65 14 No Yes 7 8 2 2
R:R:I777 R:R:L773 7.14 0 Yes Yes 8 8 1 2
R:R:I777 W:W:?905 15.96 0 Yes Yes 8 0 1 0
R:R:T780 W:W:?905 5.49 0 No Yes 7 0 1 0
R:R:F814 R:R:W818 7.02 0 Yes No 9 9 2 1
R:R:A840 R:R:W818 7.78 0 No No 9 9 2 1
R:R:W818 W:W:?905 31.42 0 No Yes 9 0 1 0
R:R:I819 R:R:I822 2.94 0 No No 6 7 2 1
R:R:I822 R:R:P823 3.39 0 No No 7 9 1 2
R:R:I822 W:W:?905 4.26 0 No Yes 7 0 1 0
R:R:Y825 R:R:Y829 4.96 14 Yes No 9 6 1 2
R:R:V833 R:R:Y825 5.05 0 No Yes 6 9 2 1
R:R:E837 R:R:Y825 7.86 14 No Yes 9 9 1 1
R:R:Y825 W:W:?905 13.11 14 Yes Yes 9 0 1 0
R:R:E837 W:W:?905 3.95 14 No Yes 9 0 1 0
R:R:G685 W:W:?905 2.55 0 No Yes 8 0 1 0
R:R:G778 R:R:I777 1.76 0 No Yes 5 8 2 1
R:R:C781 R:R:I777 1.64 0 No Yes 7 8 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength11.32
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell28.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of YP4 in 7M3F
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:C661 S:S:F684 2.79 11 Yes Yes 7 8 2 1
S:S:C661 S:S:F688 2.79 11 Yes Yes 7 8 2 2
S:S:F684 S:S:S664 2.64 11 Yes No 8 6 1 2
S:S:Q681 X:X:?906 9.92 0 No Yes 9 0 1 0
S:S:F684 S:S:F688 4.29 11 Yes Yes 8 8 1 2
S:S:F684 S:S:I841 10.05 11 Yes No 8 9 1 2
S:S:F684 X:X:?906 16.34 11 Yes Yes 8 0 1 0
S:S:F688 S:S:F814 9.65 11 Yes Yes 8 9 2 2
S:S:Q735 S:S:V689 7.16 0 Yes No 9 7 2 2
S:S:T780 S:S:V689 4.76 0 No No 7 7 1 2
S:S:L776 S:S:Q735 5.32 0 Yes Yes 8 9 1 2
S:S:E767 S:S:L770 2.65 0 No No 7 3 2 1
S:S:L770 X:X:?906 8.25 0 No Yes 3 0 1 0
S:S:I777 S:S:L773 4.28 11 No No 8 8 1 1
S:S:L773 X:X:?906 14.45 11 No Yes 8 0 1 0
S:S:L776 X:X:?906 3.1 0 Yes Yes 8 0 1 0
S:S:I777 X:X:?906 8.51 11 No Yes 8 0 1 0
S:S:T780 X:X:?906 5.49 0 No Yes 7 0 1 0
S:S:F814 S:S:W818 6.01 11 Yes Yes 9 9 2 1
S:S:W818 S:S:Y825 4.82 0 Yes No 9 9 1 2
S:S:A840 S:S:W818 6.48 0 No Yes 9 9 2 1
S:S:W818 X:X:?906 17.83 0 Yes Yes 9 0 1 0
S:S:G685 X:X:?906 2.55 0 No Yes 8 0 1 0
S:S:L773 S:S:W742 2.28 11 No Yes 8 9 1 2
S:S:L776 S:S:W742 2.28 0 Yes Yes 8 9 1 2
S:S:C781 S:S:I777 1.64 0 No No 7 8 2 1
S:S:C739 S:S:L776 1.59 0 No Yes 7 8 2 1
S:S:A844 S:S:W818 1.3 0 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.60
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell24.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8SZF C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW - 2.8 2024-02-07 10.1038/s41586-024-07055-2

A 2D representation of the interactions of YP4 in 8SZF
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F684 R:R:S664 3.96 20 Yes No 8 6 1 2
R:R:L773 R:R:Q681 3.99 0 No No 8 9 2 1
R:R:Q681 W:W:?6 12.9 0 No Yes 9 0 1 0
R:R:F684 R:R:G685 3.01 20 Yes No 8 8 1 1
R:R:F684 R:R:F688 6.43 20 Yes Yes 8 8 1 2
R:R:F684 R:R:I841 12.56 20 Yes No 8 9 1 2
R:R:F684 W:W:?6 16.34 20 Yes Yes 8 0 1 0
R:R:G685 R:R:Q735 4.93 20 No Yes 8 9 1 2
R:R:G685 W:W:?6 2.55 20 No Yes 8 0 1 0
R:R:F688 R:R:F814 10.72 0 Yes Yes 8 9 2 2
R:R:Q735 R:R:V689 8.6 20 Yes No 9 7 2 2
R:R:T780 R:R:V689 4.76 20 No No 7 7 1 2
R:R:Q735 R:R:T780 4.25 20 Yes No 9 7 2 1
R:R:I777 W:W:?6 14.9 0 No Yes 8 0 1 0
R:R:T780 W:W:?6 6.59 20 No Yes 7 0 1 0
R:R:F814 R:R:W818 9.02 51 Yes No 9 9 2 1
R:R:A840 R:R:W818 6.48 0 No No 9 9 2 1
R:R:W818 W:W:?6 24.62 0 No Yes 9 0 1 0
R:R:I822 R:R:P823 3.39 0 No No 7 9 1 2
R:R:I822 W:W:?6 4.26 0 No Yes 7 0 1 0
R:R:V833 R:R:Y825 2.52 0 No No 6 9 2 1
R:R:E837 R:R:Y825 3.37 0 No No 9 9 2 1
R:R:Y825 W:W:?6 18.35 0 No Yes 9 0 1 0
R:R:G778 R:R:I777 1.76 0 No No 5 8 2 1
R:R:I819 R:R:I822 1.47 0 No No 6 7 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub1.00
Average Interaction Strength12.56
Average Nodes In Shell22.00
Average Hubs In Shell5.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell17.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of YP4 in 8SZF
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:Q681 S:S:R680 3.5 9 Yes No 9 8 1 2
S:S:E767 S:S:Q681 3.82 9 No Yes 7 9 2 1
S:S:L773 S:S:Q681 5.32 9 Yes Yes 8 9 1 1
S:S:E837 S:S:Q681 2.55 0 No Yes 9 9 2 1
K:K:?4 S:S:Q681 10.91 9 Yes Yes 0 9 0 1
S:S:F684 S:S:G685 3.01 9 Yes No 8 8 1 1
S:S:F684 S:S:F688 6.43 9 Yes Yes 8 8 1 2
S:S:F684 S:S:I841 13.82 9 Yes No 8 9 1 2
K:K:?4 S:S:F684 15.44 9 Yes Yes 0 8 0 1
K:K:?4 S:S:G685 2.55 9 Yes No 0 8 0 1
S:S:F688 S:S:T780 2.59 0 Yes No 8 7 2 1
S:S:F688 S:S:F814 8.57 0 Yes Yes 8 9 2 2
S:S:E767 S:S:L773 3.98 9 No Yes 7 8 2 1
K:K:?4 S:S:L770 10.32 9 Yes No 0 3 0 1
K:K:?4 S:S:L773 11.35 9 Yes Yes 0 8 0 1
K:K:?4 S:S:I777 9.58 9 Yes No 0 8 0 1
K:K:?4 S:S:T780 6.59 9 Yes No 0 7 0 1
S:S:F814 S:S:W818 10.02 9 Yes Yes 9 9 2 1
S:S:W818 S:S:Y825 5.79 9 Yes Yes 9 9 1 1
S:S:A840 S:S:W818 7.78 0 No Yes 9 9 2 1
K:K:?4 S:S:W818 15.28 9 Yes Yes 0 9 0 1
S:S:V836 S:S:Y825 3.79 0 No Yes 8 9 2 1
S:S:E837 S:S:Y825 11.22 0 No Yes 9 9 2 1
K:K:?4 S:S:Y825 5.24 9 Yes Yes 0 9 0 1
S:S:L773 S:S:W742 2.28 9 Yes Yes 8 9 1 2
S:S:G774 S:S:L773 1.71 0 No Yes 4 8 2 1
S:S:F684 S:S:S664 1.32 9 Yes No 8 6 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.70
Average Nodes In Shell21.00
Average Hubs In Shell9.00
Average Links In Shell27.00
Average Links Mediated by Hubs In Shell27.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8SZG C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW chim(NtGi1-Gq)/Beta1/Gamma2 3.6 2024-02-07 10.1038/s41586-024-07055-2

A 2D representation of the interactions of YP4 in 8SZG
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F684 R:R:S664 5.28 4 Yes No 8 6 1 2
R:R:F668 R:R:R680 9.62 0 Yes Yes 9 8 2 2
R:R:E837 R:R:F668 2.33 0 No Yes 9 9 1 2
R:R:F668 R:R:I841 2.51 0 Yes No 9 9 2 2
R:R:Q681 R:R:R680 2.34 4 Yes Yes 9 8 1 2
R:R:E767 R:R:Q681 6.37 4 Yes Yes 7 9 2 1
R:R:L773 R:R:Q681 10.65 4 Yes Yes 8 9 2 1
R:R:Q681 W:W:?1 6.95 4 Yes Yes 9 0 1 0
R:R:F684 R:R:G685 3.01 4 Yes No 8 8 1 1
R:R:F684 R:R:F688 6.43 4 Yes Yes 8 8 1 2
R:R:F684 R:R:I841 7.54 4 Yes No 8 9 1 2
R:R:F684 W:W:?1 14.53 4 Yes Yes 8 0 1 0
R:R:G685 W:W:?1 2.55 4 No Yes 8 0 1 0
R:R:F688 R:R:F814 10.72 4 Yes Yes 8 9 2 1
R:R:Q735 R:R:V689 12.89 4 Yes No 9 7 2 2
R:R:T780 R:R:V689 4.76 4 No No 7 7 1 2
R:R:Q735 R:R:T780 5.67 4 Yes No 9 7 2 1
R:R:E767 R:R:L773 6.63 4 Yes Yes 7 8 2 2
R:R:G778 R:R:I777 1.76 0 No No 5 8 2 1
R:R:I777 W:W:?1 13.83 0 No Yes 8 0 1 0
R:R:T780 W:W:?1 5.49 4 No Yes 7 0 1 0
R:R:F814 R:R:M811 3.73 4 Yes Yes 9 9 1 2
R:R:F814 R:R:F815 6.43 4 Yes Yes 9 7 1 2
R:R:F814 R:R:W818 8.02 4 Yes Yes 9 9 1 1
R:R:F814 W:W:?1 4.54 4 Yes Yes 9 0 1 0
R:R:V817 R:R:W818 2.45 4 Yes Yes 9 9 2 1
R:R:A840 R:R:V817 1.7 4 No Yes 9 9 2 2
R:R:A840 R:R:W818 9.08 4 No Yes 9 9 2 1
R:R:I841 R:R:W818 2.35 0 No Yes 9 9 2 1
R:R:W818 W:W:?1 26.32 4 Yes Yes 9 0 1 0
R:R:V833 R:R:Y825 2.52 0 No No 6 9 2 1
R:R:Y825 W:W:?1 15.73 0 No Yes 9 0 1 0
R:R:E837 R:R:V833 2.85 0 No No 9 6 1 2
R:R:E837 W:W:?1 4.94 0 No Yes 9 0 1 0
R:R:C781 R:R:I777 1.64 0 No No 7 8 2 1
R:R:A844 R:R:F688 1.39 4 No Yes 9 8 2 2
R:R:A844 R:R:F814 1.39 4 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.54
Average Nodes In Shell27.00
Average Hubs In Shell14.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell32.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of YP4 in 8SZG
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:F668 S:S:R680 10.69 9 Yes Yes 9 8 2 2
S:S:F668 S:S:Q681 2.34 9 Yes Yes 9 9 2 1
S:S:E837 S:S:F668 10.49 9 No Yes 9 9 1 2
S:S:Q681 S:S:R680 2.34 9 Yes Yes 9 8 1 2
S:S:P682 S:S:Q681 4.74 0 No Yes 5 9 2 1
S:S:E767 S:S:Q681 8.92 0 No Yes 7 9 2 1
S:S:L773 S:S:Q681 3.99 9 Yes Yes 8 9 1 1
K:K:?3 S:S:Q681 16.87 9 Yes Yes 0 9 0 1
S:S:P682 S:S:W742 4.05 0 No Yes 5 9 2 2
S:S:F684 S:S:G685 3.01 9 Yes No 8 8 1 1
S:S:F684 S:S:F688 6.43 9 Yes Yes 8 8 1 2
S:S:F684 S:S:W818 2 9 Yes Yes 8 9 1 1
S:S:F684 S:S:I841 11.3 9 Yes No 8 9 1 2
K:K:?3 S:S:F684 15.44 9 Yes Yes 0 8 0 1
K:K:?3 S:S:G685 2.55 9 Yes No 0 8 0 1
S:S:F688 S:S:F814 8.57 0 Yes Yes 8 9 2 2
S:S:L776 S:S:Q735 5.32 0 No Yes 8 9 1 2
S:S:E767 S:S:W742 2.18 0 No Yes 7 9 2 2
S:S:L773 S:S:W742 2.28 9 Yes Yes 8 9 1 2
K:K:?3 S:S:L770 3.1 9 Yes No 0 3 0 1
S:S:G774 S:S:L773 1.71 0 No Yes 4 8 2 1
K:K:?3 S:S:L773 6.19 9 Yes Yes 0 8 0 1
K:K:?3 S:S:L776 4.13 9 Yes No 0 8 0 1
S:S:G778 S:S:I777 1.76 0 No No 5 8 2 1
K:K:?3 S:S:I777 11.7 9 Yes No 0 8 0 1
K:K:?3 S:S:T780 7.69 9 Yes No 0 7 0 1
S:S:F814 S:S:W818 8.02 0 Yes Yes 9 9 2 1
S:S:V817 S:S:W818 3.68 9 Yes Yes 9 9 2 1
S:S:A840 S:S:V817 1.7 9 No Yes 9 9 2 2
S:S:F821 S:S:W818 8.02 9 Yes Yes 9 9 1 1
S:S:A840 S:S:W818 7.78 9 No Yes 9 9 2 1
S:S:I841 S:S:W818 2.35 9 No Yes 9 9 2 1
K:K:?3 S:S:W818 13.59 9 Yes Yes 0 9 0 1
S:S:F821 S:S:Y825 13.41 9 Yes No 9 9 1 1
S:S:F821 S:S:V836 2.62 9 Yes No 9 8 1 2
S:S:E837 S:S:F821 2.33 9 No Yes 9 9 1 1
K:K:?3 S:S:F821 3.63 9 Yes Yes 0 9 0 1
S:S:V833 S:S:Y825 6.31 0 No No 6 9 2 1
K:K:?3 S:S:Y825 5.24 9 Yes No 0 9 0 1
K:K:?3 S:S:E837 5.93 9 Yes No 0 9 0 1
S:S:A844 S:S:W818 1.3 0 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.01
Average Nodes In Shell29.00
Average Hubs In Shell13.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8SZH C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW Gi1/Beta1/Gamma2 3.1 2024-02-07 10.1038/s41586-024-07055-2

A 2D representation of the interactions of YP4 in 8SZH
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:C661 R:R:F684 2.79 0 Yes Yes 7 8 2 1
R:R:F684 R:R:S664 3.96 3 Yes No 8 6 1 2
R:R:I841 R:R:S664 1.55 3 Yes No 9 6 2 2
R:R:E837 R:R:F668 10.49 0 No Yes 9 9 1 2
R:R:F668 R:R:I841 3.77 0 Yes Yes 9 9 2 2
R:R:P682 R:R:Q681 1.58 0 No Yes 5 9 2 1
R:R:Q681 R:R:W742 4.38 3 Yes Yes 9 9 1 2
R:R:E767 R:R:Q681 10.19 3 No Yes 7 9 2 1
R:R:L773 R:R:Q681 14.64 0 No Yes 8 9 2 1
R:R:Q681 W:W:?1 6.95 3 Yes Yes 9 0 1 0
R:R:C739 R:R:P682 5.65 0 No No 7 5 2 2
R:R:F684 R:R:G685 3.01 3 Yes No 8 8 1 1
R:R:F684 R:R:F688 3.22 3 Yes Yes 8 8 1 2
R:R:F684 R:R:I841 15.07 3 Yes Yes 8 9 1 2
R:R:F684 W:W:?1 12.71 3 Yes Yes 8 0 1 0
R:R:G685 R:R:Q735 1.64 3 No Yes 8 9 1 2
R:R:G685 W:W:?1 2.55 3 No Yes 8 0 1 0
R:R:F688 R:R:I692 6.28 3 Yes Yes 8 7 2 2
R:R:F688 R:R:T780 2.59 3 Yes Yes 8 7 2 1
R:R:F688 R:R:F814 9.65 3 Yes Yes 8 9 2 1
R:R:Q735 R:R:V689 8.6 3 Yes Yes 9 7 2 2
R:R:T780 R:R:V689 3.17 3 Yes Yes 7 7 1 2
R:R:I692 R:R:T780 1.52 3 Yes Yes 7 7 2 1
R:R:L776 R:R:Q735 7.99 0 Yes Yes 8 9 1 2
R:R:I738 R:R:L776 2.85 0 No Yes 8 8 2 1
R:R:C739 R:R:L776 3.17 0 No Yes 7 8 2 1
R:R:E767 R:R:W742 2.18 3 No Yes 7 9 2 2
R:R:I777 R:R:L773 4.28 0 Yes No 8 8 1 2
R:R:G774 R:R:I777 3.53 0 No Yes 4 8 2 1
R:R:L776 W:W:?1 2.06 0 Yes Yes 8 0 1 0
R:R:G778 R:R:I777 1.76 0 No Yes 5 8 2 1
R:R:C781 R:R:I777 1.64 0 No Yes 7 8 2 1
R:R:I777 W:W:?1 8.51 0 Yes Yes 8 0 1 0
R:R:T780 W:W:?1 6.59 3 Yes Yes 7 0 1 0
R:R:F814 R:R:F815 6.43 3 Yes Yes 9 7 1 2
R:R:F814 R:R:W818 8.02 3 Yes Yes 9 9 1 1
R:R:F814 W:W:?1 3.63 3 Yes Yes 9 0 1 0
R:R:A840 R:R:W818 9.08 3 No Yes 9 9 2 1
R:R:I841 R:R:W818 2.35 3 Yes Yes 9 9 2 1
R:R:W818 W:W:?1 24.62 3 Yes Yes 9 0 1 0
R:R:I822 R:R:P823 3.39 0 No Yes 7 9 1 2
R:R:I822 W:W:?1 4.26 0 No Yes 7 0 1 0
R:R:V833 R:R:Y825 2.52 0 No No 6 9 2 1
R:R:Y825 W:W:?1 16.6 0 No Yes 9 0 1 0
R:R:E837 W:W:?1 6.91 0 No Yes 9 0 1 0
R:R:A844 R:R:F814 1.39 0 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.67
Average Nodes In Shell34.00
Average Hubs In Shell18.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell44.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of YP4 in 8SZH
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
K:K:?2 R:R:F612 3.2 3 Yes No 0 8 1 2
K:K:?2 R:R:F832 4.79 3 Yes No 0 5 1 2
S:S:C661 S:S:F684 2.79 3 Yes Yes 7 8 2 1
S:S:C661 S:S:I841 1.64 3 Yes Yes 7 9 2 2
S:S:F684 S:S:S664 5.28 3 Yes No 8 6 1 2
S:S:F668 S:S:R680 9.62 3 Yes Yes 9 8 2 2
S:S:E837 S:S:F668 7 3 Yes Yes 9 9 1 2
S:S:F668 S:S:I841 2.51 3 Yes Yes 9 9 2 2
S:S:Q681 S:S:R680 4.67 3 Yes Yes 9 8 1 2
S:S:P682 S:S:Q681 3.16 3 Yes Yes 5 9 2 1
S:S:Q681 S:S:W742 3.29 3 Yes Yes 9 9 1 2
S:S:L773 S:S:Q681 3.99 3 Yes Yes 8 9 1 1
K:K:?1 S:S:Q681 11.91 3 Yes Yes 0 9 0 1
S:S:P682 S:S:W742 4.05 3 Yes Yes 5 9 2 2
S:S:F684 S:S:G685 3.01 3 Yes No 8 8 1 1
S:S:F684 S:S:F688 7.5 3 Yes Yes 8 8 1 2
S:S:F684 S:S:W818 3.01 3 Yes Yes 8 9 1 1
S:S:F684 S:S:I841 13.82 3 Yes Yes 8 9 1 2
K:K:?1 S:S:F684 11.8 3 Yes Yes 0 8 0 1
S:S:G685 S:S:Q735 1.64 3 No Yes 8 9 1 2
K:K:?1 S:S:G685 2.55 3 Yes No 0 8 0 1
S:S:F688 S:S:F814 7.5 0 Yes Yes 8 9 2 2
S:S:Q735 S:S:V689 10.03 3 Yes No 9 7 2 2
S:S:T780 S:S:V689 4.76 3 No No 7 7 1 2
S:S:Q735 S:S:T780 4.25 3 Yes No 9 7 2 1
S:S:L773 S:S:W742 2.28 3 Yes Yes 8 9 1 2
S:S:E767 S:S:L773 3.98 3 No Yes 7 8 1 1
K:K:?1 S:S:E767 7.9 3 Yes No 0 7 0 1
K:K:?1 S:S:L770 4.13 3 Yes No 0 3 0 1
S:S:I777 S:S:L773 2.85 3 Yes Yes 8 8 1 1
K:K:?1 S:S:L773 6.19 3 Yes Yes 0 8 0 1
S:S:G774 S:S:I777 1.76 0 No Yes 4 8 2 1
S:S:C781 S:S:I777 1.64 3 No Yes 7 8 2 1
K:K:?1 S:S:I777 7.45 3 Yes Yes 0 8 0 1
K:K:?2 S:S:I777 3.75 3 Yes Yes 0 8 1 1
K:K:?1 S:S:T780 6.59 3 Yes No 0 7 0 1
K:K:?2 S:S:C781 2.08 3 Yes No 0 7 1 2
S:S:F814 S:S:W818 12.03 0 Yes Yes 9 9 2 1
S:S:F821 S:S:W818 9.02 3 Yes Yes 9 9 1 1
S:S:A840 S:S:W818 7.78 3 No Yes 9 9 2 1
K:K:?1 S:S:W818 12.74 3 Yes Yes 0 9 0 1
K:K:?2 S:S:I819 5.62 3 Yes No 0 6 1 2
S:S:F821 S:S:Y825 9.28 3 Yes Yes 9 9 1 1
S:S:F821 S:S:V836 2.62 3 Yes No 9 8 1 2
S:S:E837 S:S:F821 2.33 3 Yes Yes 9 9 1 1
S:S:A840 S:S:F821 2.77 3 No Yes 9 9 2 1
K:K:?1 S:S:F821 2.72 3 Yes Yes 0 9 0 1
K:K:?2 S:S:F821 1.6 3 Yes Yes 0 9 1 1
S:S:I822 S:S:P823 5.08 3 No No 7 9 2 2
K:K:?2 S:S:I822 6.56 3 Yes No 0 7 1 2
K:K:?2 S:S:P823 9.7 3 Yes No 0 9 1 2
S:S:V833 S:S:Y825 5.05 3 No Yes 6 9 2 1
S:S:E837 S:S:Y825 6.73 3 Yes Yes 9 9 1 1
K:K:?1 S:S:Y825 10.49 3 Yes Yes 0 9 0 1
K:K:?2 S:S:Y825 12.31 3 Yes Yes 0 9 1 1
K:K:?2 S:S:A826 5.17 3 Yes No 0 5 1 2
K:K:?2 S:S:Y829 13.84 3 Yes No 0 6 1 2
S:S:E837 S:S:V833 2.85 3 Yes No 9 6 1 2
K:K:?2 S:S:V833 1.95 3 Yes No 0 6 1 2
K:K:?1 S:S:E837 5.93 3 Yes Yes 0 9 0 1
K:K:?1 K:K:?2 6.77 3 Yes Yes 0 0 0 1
K:K:?2 R:R:A843 1.03 3 Yes No 0 7 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub9.00
Average Interaction Strength7.47
Average Nodes In Shell38.00
Average Hubs In Shell19.00
Average Links In Shell62.00
Average Links Mediated by Hubs In Shell60.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8WPG C Ion Calcium-sensing CaS Homo sapiens - Tryptophan; Cinacalcet; PO4; Ca - 2.7 2023-11-22 10.1038/s41422-023-00892-2

A 2D representation of the interactions of YP4 in 8WPG
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:F684 S:S:S664 3.96 0 Yes No 8 6 1 2
S:S:F668 S:S:R680 14.97 14 Yes Yes 9 8 2 2
S:S:F668 S:S:Q681 8.2 14 Yes Yes 9 9 2 1
S:S:E837 S:S:F668 9.33 14 Yes Yes 9 9 1 2
S:S:F668 S:S:I841 3.77 14 Yes Yes 9 9 2 2
S:S:Q681 S:S:R680 9.35 14 Yes Yes 9 8 1 2
S:S:E767 S:S:R680 4.65 14 No Yes 7 8 2 2
S:S:E767 S:S:Q681 11.47 14 No Yes 7 9 2 1
S:S:L773 S:S:Q681 7.99 14 No Yes 8 9 2 1
S:S:E837 S:S:Q681 3.82 14 Yes Yes 9 9 1 1
S:S:Q681 X:X:?6 12.9 14 Yes Yes 9 0 1 0
S:S:F684 S:S:F688 10.72 0 Yes Yes 8 8 1 2
S:S:F684 S:S:I841 16.33 0 Yes Yes 8 9 1 2
S:S:F684 X:X:?6 24.52 0 Yes Yes 8 0 1 0
S:S:F688 S:S:F814 13.93 0 Yes Yes 8 9 2 2
S:S:T780 S:S:V689 4.76 0 No No 7 7 1 2
S:S:E767 S:S:L773 5.3 14 No No 7 8 2 2
S:S:G774 S:S:I777 3.53 0 No No 4 8 2 1
S:S:L776 X:X:?6 4.13 0 No Yes 8 0 1 0
S:S:I777 X:X:?6 14.9 0 No Yes 8 0 1 0
S:S:T780 X:X:?6 4.4 0 No Yes 7 0 1 0
S:S:F814 S:S:W818 9.02 0 Yes Yes 9 9 2 1
S:S:A840 S:S:W818 7.78 0 No Yes 9 9 2 1
S:S:I841 S:S:W818 3.52 0 Yes Yes 9 9 2 1
S:S:W818 X:X:?6 30.57 0 Yes Yes 9 0 1 0
S:S:I822 S:S:P823 3.39 0 No No 7 9 1 2
S:S:I822 X:X:?6 6.38 0 No Yes 7 0 1 0
S:S:V833 S:S:Y825 3.79 0 No No 6 9 2 1
S:S:E837 S:S:Y825 5.61 14 Yes No 9 9 1 1
S:S:Y825 X:X:?6 22.72 14 No Yes 9 0 1 0
S:S:E837 X:X:?6 9.88 14 Yes Yes 9 0 1 0
S:S:G685 X:X:?6 2.55 0 No Yes 8 0 1 0
S:S:G778 S:S:I777 1.76 0 No No 5 8 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength13.30
Average Nodes In Shell25.00
Average Hubs In Shell10.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell27.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of YP4 in 8WPG
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:E837 R:R:F668 11.66 9 No Yes 9 9 1 2
R:R:F668 R:R:I841 3.77 9 Yes No 9 9 2 2
R:R:F684 R:R:F688 9.65 0 Yes No 8 8 1 2
R:R:F684 R:R:I841 12.56 0 Yes No 8 9 1 2
R:R:F684 W:W:?4 19.98 0 Yes Yes 8 0 1 0
R:R:F688 R:R:F814 15 0 No Yes 8 9 2 1
R:R:T780 R:R:V689 4.76 0 No No 7 7 1 2
R:R:I777 R:R:L773 4.28 0 No Yes 8 8 1 2
R:R:I777 W:W:?4 11.7 0 No Yes 8 0 1 0
R:R:T780 W:W:?4 7.69 0 No Yes 7 0 1 0
R:R:F814 R:R:W818 8.02 9 Yes Yes 9 9 1 1
R:R:F814 W:W:?4 4.54 9 Yes Yes 9 0 1 0
R:R:V817 R:R:W818 3.68 0 No Yes 9 9 2 1
R:R:A840 R:R:W818 9.08 0 No Yes 9 9 2 1
R:R:I841 R:R:W818 3.52 0 No Yes 9 9 2 1
R:R:W818 W:W:?4 36.51 9 Yes Yes 9 0 1 0
R:R:I822 R:R:P823 5.08 0 Yes No 7 9 1 2
R:R:I822 W:W:?4 6.38 0 Yes Yes 7 0 1 0
R:R:V833 R:R:Y825 3.79 0 No No 6 9 2 1
R:R:E837 R:R:Y825 4.49 9 No No 9 9 1 1
R:R:Y825 W:W:?4 10.49 9 No Yes 9 0 1 0
R:R:E837 W:W:?4 7.9 9 No Yes 9 0 1 0
R:R:A784 R:R:F814 2.77 0 No Yes 8 9 2 1
R:R:A844 R:R:W818 2.59 0 No Yes 9 9 2 1
R:R:G685 W:W:?4 2.55 0 No Yes 8 0 1 0
R:R:G774 R:R:I777 1.76 0 No No 4 8 2 1
R:R:A826 R:R:I822 1.62 0 No Yes 5 7 2 1
R:R:I819 R:R:I822 1.47 0 No Yes 6 7 2 1
R:R:F684 R:R:S664 1.32 0 Yes No 8 6 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength11.97
Average Nodes In Shell25.00
Average Hubs In Shell7.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell25.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8WPU C Ion Calcium-sensing CaS Homo sapiens - Tryptophan; Cinacalcet; PO4; Ca chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.1 2023-11-22 10.1038/s41422-023-00892-2

A 2D representation of the interactions of YP4 in 8WPU
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:C661 S:S:F684 2.79 0 No Yes 7 8 2 1
S:S:F684 S:S:S664 5.28 12 Yes No 8 6 1 2
S:S:F668 S:S:R680 13.9 0 Yes Yes 9 8 2 2
S:S:E837 S:S:F668 10.49 12 Yes Yes 9 9 1 2
S:S:F668 S:S:I841 3.77 0 Yes Yes 9 9 2 1
S:S:Q681 S:S:R680 7.01 0 No Yes 9 8 1 2
S:S:L773 S:S:Q681 5.32 0 No No 8 9 2 1
S:S:Q681 X:X:?4 7.94 0 No Yes 9 0 1 0
S:S:F684 S:S:F688 10.72 12 Yes Yes 8 8 1 2
S:S:F684 S:S:W818 6.01 12 Yes Yes 8 9 1 1
S:S:F684 S:S:I841 15.07 12 Yes Yes 8 9 1 1
S:S:F684 X:X:?4 19.98 12 Yes Yes 8 0 1 0
S:S:G685 S:S:Q735 4.93 0 No Yes 8 9 1 2
S:S:G685 X:X:?4 2.55 0 No Yes 8 0 1 0
S:S:F688 S:S:F814 7.5 0 Yes Yes 8 9 2 2
S:S:A844 S:S:F688 2.77 0 No Yes 9 8 2 2
S:S:Q735 S:S:V689 17.19 46 Yes Yes 9 7 2 2
S:S:T780 S:S:V689 3.17 0 No Yes 7 7 1 2
S:S:E767 S:S:W742 3.27 12 Yes Yes 7 9 1 2
S:S:E767 S:S:H766 2.46 12 Yes Yes 7 6 1 2
S:S:E767 S:S:L770 7.95 12 Yes No 7 3 1 1
S:S:E767 S:S:L773 2.65 12 Yes No 7 8 1 2
S:S:E767 X:X:?4 1.98 12 Yes Yes 7 0 1 0
S:S:L770 X:X:?4 6.19 12 No Yes 3 0 1 0
S:S:I777 X:X:?4 19.15 0 No Yes 8 0 1 0
S:S:T780 X:X:?4 6.59 0 No Yes 7 0 1 0
S:S:F814 S:S:W818 7.02 12 Yes Yes 9 9 2 1
S:S:F821 S:S:W818 12.03 12 Yes Yes 9 9 1 1
S:S:A840 S:S:W818 7.78 12 No Yes 9 9 2 1
S:S:I841 S:S:W818 2.35 12 Yes Yes 9 9 1 1
S:S:A844 S:S:W818 2.59 0 No Yes 9 9 2 1
S:S:W818 X:X:?4 18.68 12 Yes Yes 9 0 1 0
S:S:F821 S:S:Y825 11.35 12 Yes Yes 9 9 1 1
S:S:F821 S:S:V836 3.93 12 Yes No 9 8 1 2
S:S:E837 S:S:F821 2.33 12 Yes Yes 9 9 1 1
S:S:A840 S:S:F821 4.16 12 No Yes 9 9 2 1
S:S:F821 X:X:?4 1.82 12 Yes Yes 9 0 1 0
S:S:V833 S:S:Y825 5.05 0 No Yes 6 9 2 1
S:S:V836 S:S:Y825 2.52 12 No Yes 8 9 2 1
S:S:E837 S:S:Y825 5.61 12 Yes Yes 9 9 1 1
S:S:Y825 X:X:?4 10.49 12 Yes Yes 9 0 1 0
S:S:E837 X:X:?4 6.91 12 Yes Yes 9 0 1 0
S:S:I841 X:X:?4 2.13 12 Yes Yes 9 0 1 0
S:S:C781 S:S:I777 1.64 0 No No 7 8 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.70
Average Nodes In Shell29.00
Average Hubs In Shell16.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell42.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of YP4 in 8WPU
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I822 S:S:F612 2.51 9 Yes Yes 7 8 1 2
R:R:P823 S:S:F612 5.78 9 Yes Yes 9 8 2 2
R:R:C661 R:R:F684 5.59 0 No Yes 7 8 2 1
R:R:F684 R:R:S664 5.28 9 Yes No 8 6 1 2
R:R:E837 R:R:F668 9.33 9 Yes Yes 9 9 1 2
R:R:F668 R:R:I841 3.77 0 Yes Yes 9 9 2 1
R:R:Q681 R:R:W742 6.57 9 Yes Yes 9 9 1 2
R:R:L773 R:R:Q681 13.31 9 No Yes 8 9 1 1
R:R:E837 R:R:Q681 2.55 9 Yes Yes 9 9 1 1
R:R:Q681 W:W:?4 6.95 9 Yes Yes 9 0 1 0
R:R:F684 R:R:G685 3.01 9 Yes No 8 8 1 1
R:R:F684 R:R:F688 7.5 9 Yes Yes 8 8 1 2
R:R:F684 R:R:W818 3.01 9 Yes Yes 8 9 1 1
R:R:F684 R:R:I841 17.58 9 Yes Yes 8 9 1 1
R:R:F684 W:W:?4 19.07 9 Yes Yes 8 0 1 0
R:R:G685 W:W:?4 2.55 9 No Yes 8 0 1 0
R:R:F688 R:R:T780 2.59 0 Yes No 8 7 2 1
R:R:F688 R:R:F814 13.93 0 Yes Yes 8 9 2 1
R:R:L776 R:R:Q735 10.65 0 No Yes 8 9 1 2
R:R:Q735 R:R:T780 5.67 52 Yes No 9 7 2 1
R:R:I738 R:R:L776 4.28 0 No No 8 8 2 1
R:R:I777 R:R:L773 4.28 9 No No 8 8 1 1
R:R:L773 W:W:?4 2.06 9 No Yes 8 0 1 0
R:R:L776 W:W:?4 4.13 0 No Yes 8 0 1 0
R:R:G778 R:R:I777 3.53 0 No No 5 8 2 1
R:R:I777 W:W:?4 17.02 9 No Yes 8 0 1 0
R:R:T780 W:W:?4 6.59 0 No Yes 7 0 1 0
R:R:A784 R:R:F814 2.77 9 No Yes 8 9 2 1
R:R:A784 R:R:F815 4.16 9 No Yes 8 7 2 2
R:R:F814 R:R:F815 10.72 9 Yes Yes 9 7 1 2
R:R:F814 R:R:W818 8.02 9 Yes Yes 9 9 1 1
R:R:A844 R:R:F814 2.77 9 No Yes 9 9 2 1
R:R:F814 W:W:?4 3.63 9 Yes Yes 9 0 1 0
R:R:A840 R:R:W818 7.78 0 No Yes 9 9 2 1
R:R:I841 R:R:W818 2.35 9 Yes Yes 9 9 1 1
R:R:A844 R:R:W818 2.59 9 No Yes 9 9 2 1
R:R:W818 W:W:?4 33.96 9 Yes Yes 9 0 1 0
R:R:I822 R:R:P823 3.39 9 Yes Yes 7 9 1 2
R:R:I822 W:W:?4 4.26 9 Yes Yes 7 0 1 0
R:R:E837 R:R:Y825 2.24 9 Yes No 9 9 1 1
R:R:Y825 W:W:?4 11.36 9 No Yes 9 0 1 0
R:R:E837 W:W:?4 11.85 9 Yes Yes 9 0 1 0
R:R:I841 W:W:?4 2.13 9 Yes Yes 9 0 1 0
R:R:I819 R:R:I822 1.47 0 No Yes 6 7 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.66
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell41.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links10.33
Average Number Of Links With An Hub5.00
Average Interaction Strength10.12
Average Nodes In Shell27.50
Average Hubs In Shell12.17
Average Links In Shell37.25
Average Links Mediated by Hubs In Shell33.83

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)