Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub.

Num Of Links: the number of links of the corresponding hub.

Community: the id of the community the link belong to, otherwise 0.

ConSurf: this column reports the ConSurf conservation grades of each hub.

   

Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Recurrence: the relative Recurrence in the pool of shortest paths.

Int. Strength: the interaction strength between the two nodes.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

Community: the id of the community the link belong to, otherwise 0.

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.

Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

ConSurf Conservation Grade (See documentation): 

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

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.


2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

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

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
S:S:I841 S:S:S664 1.55 3 Yes No 9 6 1 2
S:S:I841 S:S:S665 3.1 3 Yes Yes 9 8 1 2
S:S:F668 S:S:R680 13.9 3 No Yes 9 8 2 2
S:S:F668 S:S:Q681 2.34 3 No Yes 9 9 2 1
S:S:Q681 S:S:R680 11.68 3 Yes Yes 9 8 1 2
S:S:P682 S:S:Q681 1.58 0 No Yes 5 9 2 1
S:S:L773 S:S:Q681 5.32 0 No Yes 8 9 2 1
S:S:Q681 X:X:?901 12.75 3 Yes Yes 9 0 1 0
S:S:F684 S:S:G685 3.01 3 Yes No 8 8 1 2
S:S:F684 S:S:F688 6.43 3 Yes No 8 8 1 2
S:S:F684 S:S:I841 2.51 3 Yes Yes 8 9 1 1
S:S:F684 X:X:?901 16.16 3 Yes Yes 8 0 1 0
S:S:F688 S:S:F814 3.22 3 No Yes 8 9 2 1
S:S:F688 S:S:L848 2.44 3 No No 8 7 2 2
S:S:I777 S:S:L773 5.71 0 Yes No 8 8 1 2
S:S:G774 S:S:I777 5.29 0 No Yes 4 8 2 1
S:S:G778 S:S:I777 1.76 0 No Yes 5 8 2 1
S:S:I777 X:X:?901 7.36 0 Yes Yes 8 0 1 0
S:S:A784 S:S:F814 2.77 0 Yes Yes 8 9 2 1
S:S:F814 S:S:L848 3.65 3 Yes No 9 7 1 2
S:S:F814 X:X:?901 2.69 3 Yes Yes 9 0 1 0
S:S:A844 S:S:V817 1.7 0 No No 9 9 1 2
S:S:I819 S:S:W818 2.35 0 No No 6 9 2 1
S:S:I822 S:S:W818 3.52 3 Yes No 7 9 1 1
S:S:W818 X:X:?901 9.23 3 No Yes 9 0 1 0
S:S:F821 S:S:I822 3.77 3 Yes Yes 9 7 1 1
S:S:F821 S:S:Y825 10.32 3 Yes No 9 9 1 1
S:S:E837 S:S:F821 7 3 No Yes 9 9 1 1
S:S:A840 S:S:F821 2.77 3 No Yes 9 9 1 1
S:S:F821 X:X:?901 25.13 3 Yes Yes 9 0 1 0
S:S:I822 S:S:P823 3.39 3 Yes No 7 9 1 2
S:S:I822 X:X:?901 5.26 3 Yes Yes 7 0 1 0
S:S:V833 S:S:Y825 5.05 0 No No 6 9 2 1
S:S:Y825 X:X:?901 13.82 3 No Yes 9 0 1 0
S:S:E837 X:X:?901 23.44 3 No Yes 9 0 1 0
S:S:A840 X:X:?901 3.48 3 No Yes 9 0 1 0
S:S:I841 X:X:?901 6.31 3 Yes Yes 9 0 1 0
S:S:A844 X:X:?901 2.32 0 No Yes 9 0 1 0

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

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

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I841 R:R:S665 3.1 0 No Yes 9 8 1 2
R:R:F668 R:R:R680 3.21 5 Yes Yes 9 8 2 2
R:R:F668 R:R:Q681 2.34 5 Yes Yes 9 9 2 1
R:R:E837 R:R:F668 10.49 5 No Yes 9 9 1 2
R:R:Q681 R:R:R680 15.19 5 Yes Yes 9 8 1 2
R:R:P682 R:R:Q681 1.58 5 Yes Yes 5 9 2 1
R:R:L773 R:R:Q681 3.99 0 No Yes 8 9 2 1
R:R:Q681 W:W:?901 11.77 5 Yes Yes 9 0 1 0
R:R:F684 R:R:G685 4.52 0 No No 8 8 1 2
R:R:F684 R:R:F688 2.14 0 No Yes 8 8 1 2
R:R:F684 W:W:?901 10.77 0 No Yes 8 0 1 0
R:R:F688 R:R:T780 3.89 0 Yes Yes 8 7 2 2
R:R:F688 R:R:F814 9.65 0 Yes Yes 8 9 2 1
R:R:G774 R:R:I777 3.53 0 No Yes 4 8 2 1
R:R:G778 R:R:I777 1.76 0 No Yes 5 8 2 1
R:R:I777 R:R:T780 1.52 5 Yes Yes 8 7 1 2
R:R:C781 R:R:I777 1.64 5 No Yes 7 8 2 1
R:R:I777 W:W:?901 10.52 5 Yes Yes 8 0 1 0
R:R:C781 R:R:T780 1.69 5 No Yes 7 7 2 2
R:R:C781 R:R:W818 5.22 5 No Yes 7 9 2 1
R:R:A784 R:R:F814 2.77 5 No Yes 8 9 2 1
R:R:A784 R:R:F815 4.16 5 No Yes 8 7 2 2
R:R:F814 R:R:F815 7.5 5 Yes Yes 9 7 1 2
R:R:F814 W:W:?901 4.49 5 Yes Yes 9 0 1 0
R:R:I822 R:R:W818 2.35 5 Yes Yes 7 9 1 1
R:R:W818 W:W:?901 5.88 5 Yes Yes 9 0 1 0
R:R:F821 R:R:I822 3.77 5 Yes Yes 9 7 1 1
R:R:F821 R:R:Y825 9.28 5 Yes No 9 9 1 1
R:R:E837 R:R:F821 10.49 5 No Yes 9 9 1 1
R:R:F821 W:W:?901 22.44 5 Yes Yes 9 0 1 0
R:R:I822 R:R:P823 3.39 5 Yes No 7 9 1 2
R:R:I822 W:W:?901 2.1 5 Yes 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:?901 18.14 5 No Yes 9 0 1 0
R:R:E837 W:W:?901 21.49 5 No Yes 9 0 1 0
R:R:I841 W:W:?901 5.26 0 No Yes 9 0 1 0
R:R:I819 R:R:W818 1.17 0 No Yes 6 9 2 1
R:R:A840 W:W:?901 1.16 0 No Yes 9 0 1 0

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

PDB Summary
PDB 7M3J
Class C
SubFamily Ion
Type Calcium-sensing
SubType CaS
Species Homo sapiens
Ligand -
Other Ligand(s) NPS-2143; PO4
Protein Partners -
PDB Resolution 4.1
Date 2021-06-30
D.O.I. 10.1038/s41586-021-03691-0
Net Summary
Imin 1.47
Number of Linked Nodes 1490
Number of Links 2072
Number of Hubs 422
Number of Links mediated by Hubs 1435
Number of Communities 52
Number of Nodes involved in Communities 661
Number of Links involved in Communities 1019
Path Summary
Number Of Nodes in MetaPath 246
Number Of Links MetaPath 245
Number of Shortest Paths 82989759
Length Of Smallest Path 3
Average Path Length 128
Length of Longest Path 108
Minimum Path Strength 1.22
Average Path Strength 8.01314
Maximum Path Strength 39.66
Minimum Path Correlation 0.7
Average Path Correlation 1
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 1.33333
Average % Of Corr. Nodes 101.399
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 128
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier
SCOP2Family Identifier
Membrane Protein Annotations-• Orientations of Proteins in Membranes database (OPM)   • Protein Data Bank of Transmembrane Proteins (PDBTM)   • MemProtMD


Details about the values in these tables can be found in the corresponding documentation page .
CodeYP1
PDB ResiduesW:W:?901 X:X:?901
Environment DetailsOpen EMBL-EBI Page
CodeYP1
NameNPS-2143
SynonymsNPS-2143
Identifier2-chloranyl-6-[(2~{R})-3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile
FormulaC24 H25 Cl N2 O2
Molecular Weight408.921
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O
PubChem6918446
Formal Charge0
Total Atoms54
Total Chiral Atoms1
Total Bonds56
Total Aromatic Bonds17

CodePO4
PDB ResiduesW:W:?905 X:X:?904
Environment DetailsOpen EMBL-EBI Page
CodePO4
NamePhosphate ion
Synonyms
  • Phosphate
  • Phosphate ion
  • Orthophosphate
Identifierphosphate
FormulaO4 P
Molecular Weight94.971
SMILES[O-]P(=O)([O-])[O-]
PubChem1061
Formal Charge-3
Total Atoms5
Total Chiral Atoms0
Total Bonds4
Total Aromatic Bonds0

CodeNAG
PDB ResiduesH:H:?1 H:H:?2 H:H:?3 H:H:?4 H:H:?5 H:H:?6 H:H:?7
Environment DetailsOpen EMBL-EBI Page
CodeNAG
NameN-Acetylglucosamine
SynonymsN-Acetyl-D-glucosamine
IdentifierN-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
FormulaC8 H15 N O6
Molecular Weight221.208
SMILESCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
PubChem24139
Formal Charge0
Total Atoms30
Total Chiral Atoms5
Total Bonds30
Total Aromatic Bonds0

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP41180
Sequence
>7M3J_Chain_R
QRAQKKGDI ILGGLFPIH FGVAAKDQD LKSRPESVE CIRYNFRGF 
RWLQAMIFA IEEINSSPA LLPNLTLGY RIFDTCNTV SKALEATLS 
FVAQNKIPS TIAVVGATG SGVSTAVAN LLGLFYIPQ VSYASSSRL 
LSNKNQFKS FLRTIPNDE HQATAMADI IEYFRWNWV GTIAADDDY 
GRPGIEKFR EEAEERDIC IDFSELISQ YSDEEEIQH VVEVIQNST 
AKVIVVFSS GPDLEPLIK EIVRRNITG KIWLASEAW ASSSLIAMP 
QYFHVVGGT IGFALKAGQ IPGFREFLK KVHPRKSVH NGFAKEFWE 
ETFNISSVE TPYIDYTHL RISYNVYLA VYSIAHALQ DIYTCLPGR 
GLFTNGSCA DIKKVEAWQ VLKHLRHLN FTNNMGEQV TFDECGDLV 
GNYSIINWH LSPEDGSIV FKEVGYYNV YAKKGERLF INEEKILWS 
GFSREVPFS NCSRDCLAG TRKGIIEGE PTCCFECVE CPDGEYSDE 
TDASACNKC PDDFWSNEN HTSCIAKEI EFLSWTEPF GIALTLFAV 
LGIFLTAFV LGVFIKFRN TPIVKATNR ELSYLLLFS LLCCFSSSL 
FFIGEPQDW TCRLRQPAF GISFVLCIS CILVKTNRV LLLNLQFLL 
VFLCTFMQI VICVIWLYT APPSSYRNQ ELEDEIIFI TCHEGSLMA 
LGFLIGYTC LLAAICFFF AFKSRKLPE NFNEAKFIT FSMLIFFIV 
WISFIPAYA STYGKFVSA VEVIAILAA SFGLLACIF FNKIYIILF 
KPSRNTIEE VRC


Click on each residue to open a popup with some information about it.

ConSurf Conservation Grade (See documentation): 

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

ChainS
ProteinReceptor
UniProtP41180
Sequence
>7M3J_Chain_S
QRAQKKGDI ILGGLFPIH FGVAAKDQD LKSRPESVE CIRYNFRGF 
RWLQAMIFA IEEINSSPA LLPNLTLGY RIFDTCNTV SKALEATLS 
FVAQNKIPS TIAVVGATG SGVSTAVAN LLGLFYIPQ VSYASSSRL 
LSNKNQFKS FLRTIPNDE HQATAMADI IEYFRWNWV GTIAADDDY 
GRPGIEKFR EEAEERDIC IDFSELISQ YSDEEEIQH VVEVIQNST 
AKVIVVFSS GPDLEPLIK EIVRRNITG KIWLASEAW ASSSLIAMP 
QYFHVVGGT IGFALKAGQ IPGFREFLK KVHPRKSVH NGFAKEFWE 
ETFNISSVE TPYIDYTHL RISYNVYLA VYSIAHALQ DIYTCLPGR 
GLFTNGSCA DIKKVEAWQ VLKHLRHLN FTNNMGEQV TFDECGDLV 
GNYSIINWH LSPEDGSIV FKEVGYYNV YAKKGERLF INEEKILWS 
GFSREVPFS NCSRDCLAG TRKGIIEGE PTCCFECVE CPDGEYSDE 
TDASACNKC PDDFWSNEN HTSCIAKEI EFLSWTEPF GIALTLFAV 
LGIFLTAFV LGVFIKFRN TPIVKATNR ELSYLLLFS LLCCFSSSL 
FFIGEPQDW TCRLRQPAF GISFVLCIS CILVKTNRV LLLNLQFLL 
VFLCTFMQI VICVIWLYT APPSSYRNQ ELEDEIIFI TCHEGSLMA 
LGFLIGYTC LLAAICFFF AFKSRKLPE NFNEAKFIT FSMLIFFIV 
WISFIPAYA STYGKFVSA VEVIAILAA SFGLLACIF FNKIYIILF 
KPSRNTIEE VRCDSLNLI CHLQES


Click on each residue to open a popup with some information about it.

ConSurf Conservation Grade (See documentation): 

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




This receptor, from the same or other species and bound to the same or other ligands, is also present in the following networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7DD5CIonCalcium-sensingCaSGallus gallusCaCa; Ca; Tryptophan; NPS-2143-3.22021-06-1610.1126/sciadv.abg1483
7DD6CIonCalcium-sensingCaSGallus gallusCaCa; Ca; Tryptophan-3.22021-06-1610.1126/sciadv.abg1483
7DD7CIonCalcium-sensingCaSGallus gallusCaCa; Ca; Tryptophan; Evocalcet-3.22021-06-1610.1126/sciadv.abg1483
7DTTCIonCalcium-sensingCaSHomo sapiensCaCa-3.82021-03-1010.1038/s41422-021-00474-0
7DTUCIonCalcium-sensingCaSHomo sapiens-Tryptophan-4.42021-03-1010.1038/s41422-021-00474-0
7DTVCIonCalcium-sensingCaSHomo sapiensCaCa; Tryptophan-3.52021-03-1010.1038/s41422-021-00474-0
7DTWCIonCalcium-sensingCaSHomo sapiens---4.52021-03-1010.1038/s41422-021-00474-0
7E6TCIonCalcium-sensingCaSHomo sapiensCaCa; Ca; Cyclomethyltryptophan; PO4-32021-09-2210.7554/eLife.68578
7E6UCIonCalcium-sensingCaSHomo sapiens---62021-09-2210.7554/eLife.68578
7M3ECIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; NPS-2143; PO4-3.22021-06-3010.1038/s41586-021-03691-0
7M3FCIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; Cinacalcet; PO4-2.82021-06-3010.1038/s41586-021-03691-0
7M3GCIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; Evocalcet; Etelcalcetide; PO4-2.52021-06-3010.1038/s41586-021-03691-0
7M3JCIonCalcium-sensingCaSHomo sapiens-NPS-2143; PO4-4.12021-06-3010.1038/s41586-021-03691-0
7SILCIonCalcium-sensingCaSHomo sapiensCaCa; Ca; Ca; Cyclomethyltryptophan; 9IG; PO4-2.72022-01-1910.1073/pnas.2115849118
7SIMCIonCalcium-sensingCaSHomo sapiensCaCa; Ca; Cyclomethyltryptophan; PO4-2.72022-01-1910.1073/pnas.2115849118
7SINCIonCalcium-sensingCaSHomo sapiens-NPS-2143-5.92022-01-1910.1073/pnas.2115849118
8SZFCIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW-2.82024-02-0710.1038/s41586-024-07055-2
8SZGCIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCWchim(NtGi1-Gq)/&β;1/&γ;23.62024-02-0710.1038/s41586-024-07055-2
8SZHCIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCWGi1/&β;1/&γ;23.12024-02-0710.1038/s41586-024-07055-2
8SZICIonCalcium-sensingCaSHomo sapiens-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCWGi3/&β;1/&γ;23.52024-02-0710.1038/s41586-024-07055-2
8WPGCIonCalcium-sensingCaSHomo sapiens-Tryptophan; Cinacalcet; PO4; Ca-2.72023-11-2210.1038/s41422-023-00892-2
8WPUCIonCalcium-sensingCaSHomo sapiens-Tryptophan; Cinacalcet; PO4; Cachim(NtGi2L-Gs-CtGq)/&β;1/&γ;23.12023-11-2210.1038/s41422-023-00892-2
9AXFCIonCalcium-sensingCaSHomo sapiensCaCa; Ca; Ca; Cyclomethyltryptophan; 9IG; PO4chim(NtGi1-Gs-CtGq)/&β;1/&γ;23.52024-04-1710.1038/s41586-024-07331-1
9AYFCIonCalcium-sensingCaSHomo sapiensCaCa; Ca; Ca; Cyclomethyltryptophan; 9IG; PO4Gi1/&β;1/&γ;23.62024-04-1710.1038/s41586-024-07331-1




You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

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