CodeZAL
Name3-cyclohexyl-D-alanine
Synonyms
Identifier
FormulaC9 H17 N O2
Molecular Weight171.237
SMILES
PubChem25322977
Formal Charge0
Total Atoms29
Total Chiral Atoms1
Total Bonds29
Total Aromatic Bonds0
Networks8
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This ligand is also present in the following 8 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6C1Q A Peptide Complement Peptide C5A1 Homo Sapiens PMX53 NDT9513727 - 2.9 2018-05-30 doi.org/10.1038/s41594-018-0067-z

A 2D representation of the interactions of ZAL in 6C1Q
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:D37 R:R:I96 4.2 6 No Yes 4 5 2 1
R:R:I96 R:R:L41 4.28 0 Yes Yes 5 5 1 2
R:R:I91 R:R:W102 3.52 1 No Yes 6 8 2 1
R:R:F104 R:R:I91 13.82 1 No No 7 6 2 2
L:L:W5 R:R:L92 6.83 0 Yes No 0 6 1 2
R:R:S95 R:R:W102 4.94 1 No Yes 4 8 1 1
L:L:?4 R:R:S95 7.06 1 Yes No 0 4 0 1
R:R:I96 R:R:S283 4.64 0 Yes No 5 4 1 2
L:L:?4 R:R:H100 3.62 1 Yes No 0 4 0 1
R:R:F104 R:R:W102 20.04 1 No Yes 7 8 2 1
R:R:C109 R:R:W102 5.22 1 Yes Yes 9 8 2 1
R:R:C188 R:R:W102 14.37 1 No Yes 9 8 2 1
L:L:?4 R:R:W102 3.21 1 Yes Yes 0 8 0 1
R:R:C109 R:R:C188 7.28 1 Yes No 9 9 2 2
R:R:P113 R:R:R175 11.53 0 No Yes 6 5 2 1
L:L:W5 R:R:P113 5.4 0 Yes No 0 6 1 2
R:R:R175 R:R:S114 3.95 1 Yes No 5 5 1 2
R:R:C188 R:R:R175 4.18 1 No Yes 9 5 2 1
R:R:G189 R:R:R175 3 1 Yes Yes 4 5 1 1
L:L:?4 R:R:R175 10.28 1 Yes Yes 0 5 0 1
L:L:F1 R:R:G189 3.01 1 Yes Yes 0 4 2 1
L:L:?2 R:R:G189 3.18 1 Yes Yes 0 4 1 1
L:L:?4 R:R:G189 3.21 1 Yes Yes 0 4 0 1
L:L:?2 R:R:V190 4.16 1 Yes No 0 5 1 2
L:L:W5 R:R:D282 6.7 0 Yes No 0 4 1 2
L:L:W5 R:R:V286 17.16 0 Yes No 0 5 1 2
L:L:?2 L:L:F1 13.59 1 Yes Yes 0 0 1 2
L:L:?2 L:L:P3 15.27 1 Yes No 0 0 1 1
L:L:?2 L:L:?4 3.63 1 Yes Yes 0 0 1 0
L:L:?4 L:L:P3 4.63 1 Yes No 0 0 0 1
L:L:?4 L:L:W5 18.2 1 Yes Yes 0 0 0 1
L:L:?4 R:R:I96 2.68 1 Yes Yes 0 5 0 1
L:L:?2 R:R:K279 2.62 1 Yes No 0 4 1 2
R:R:A108 R:R:W102 2.59 0 No Yes 5 8 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.28
Average Nodes In Shell26.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell33.00
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
6C1R A Peptide Complement Peptide C5A1 Homo Sapiens PMX53 Avacopan; Na - 2.2 2018-05-30 doi.org/10.1038/s41594-018-0067-z

A 2D representation of the interactions of ZAL in 6C1R
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:D37 R:R:H100 6.3 0 No No 4 4 2 1
R:R:I96 R:R:L41 7.14 0 Yes No 5 5 1 2
L:L:W5 R:R:L92 6.83 0 Yes No 0 6 1 2
R:R:S95 R:R:W102 6.18 0 No Yes 4 8 1 2
L:L:?4 R:R:S95 5.64 0 Yes No 0 4 0 1
R:R:I96 R:R:S283 4.64 0 Yes No 5 4 1 2
L:L:?4 R:R:I96 4.02 0 Yes Yes 0 5 0 1
R:R:C188 R:R:W102 16.98 5 No Yes 9 8 2 2
R:R:P113 R:R:R175 12.97 0 No Yes 6 5 2 1
L:L:W5 R:R:P113 5.4 0 Yes No 0 6 1 2
R:R:C188 R:R:R175 4.18 5 No Yes 9 5 2 1
L:L:?4 R:R:R175 10.28 0 Yes Yes 0 5 0 1
L:L:?4 R:R:G189 6.43 0 Yes No 0 4 0 1
L:L:?2 R:R:V190 6.93 3 Yes No 0 5 1 2
L:L:?2 R:R:K279 6.56 3 Yes No 0 4 1 2
L:L:W5 R:R:D282 7.82 0 Yes No 0 4 1 2
L:L:W5 R:R:V286 22.07 0 Yes No 0 5 1 2
L:L:?2 L:L:F1 19.25 3 Yes Yes 0 0 1 2
L:L:F1 L:L:P3 4.33 3 Yes No 0 0 2 2
L:L:?2 L:L:P3 15.27 3 Yes No 0 0 1 2
L:L:?2 L:L:?4 4.84 3 Yes Yes 0 0 1 0
L:L:?4 L:L:W5 21.41 0 Yes Yes 0 0 0 1
L:L:?4 R:R:H100 3.62 0 Yes No 0 4 0 1
R:R:R175 R:R:S114 2.64 0 Yes No 5 5 1 2
R:R:I96 R:R:L33 1.43 0 Yes No 5 4 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.03
Average Nodes In Shell23.00
Average Hubs In Shell7.00
Average Links In Shell25.00
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
7Y65 A Peptide Complement Peptide C5A1 Homo Sapiens C5a peptide - Gi1/Beta1/Gamma2 3.2 2023-03-01 doi.org/10.1038/s41422-023-00779-2

A 2D representation of the interactions of ZAL in 7Y65
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
L:L:?4 L:L:?5 25.53 2 Yes Yes 0 0 0 1
L:L:?4 L:L:?6 2.08 2 Yes Yes 0 0 0 1
L:L:?4 R:R:L92 6.5 2 Yes No 0 6 0 1
L:L:?4 R:R:P113 3.09 2 Yes No 0 6 0 1
L:L:?4 R:R:R175 5.71 2 Yes Yes 0 5 0 1
L:L:?5 L:L:?6 31.09 2 Yes Yes 0 0 1 1
L:L:?5 R:R:L92 2.36 2 Yes No 0 6 1 1
L:L:?5 R:R:I116 6.09 2 Yes No 0 6 1 2
L:L:?5 R:R:L117 2.36 2 Yes No 0 4 1 2
L:L:?5 R:R:V286 3.81 2 Yes Yes 0 5 1 2
L:L:?6 R:R:V190 3.57 2 Yes No 0 5 1 2
L:L:?6 R:R:Y258 15.9 2 Yes Yes 0 7 1 2
L:L:?6 R:R:D282 10.83 2 Yes No 0 4 1 2
L:L:?6 R:R:V286 2.38 2 Yes Yes 0 5 1 2
R:R:L89 R:R:L92 4.15 0 No No 7 6 2 1
R:R:L112 R:R:P113 3.28 0 No No 5 6 2 1
R:R:P113 R:R:R175 8.65 2 No Yes 6 5 1 1
R:R:R175 R:R:S171 2.64 2 Yes No 5 5 1 2
R:R:C188 R:R:R175 4.18 0 No Yes 9 5 2 1
R:R:R175 R:R:V190 2.62 2 Yes No 5 5 1 2
R:R:V286 R:R:Y258 5.05 2 Yes Yes 5 7 2 2
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.58
Average Nodes In Shell16.00
Average Hubs In Shell6.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell19.00
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
7Y67 A Peptide Complement Peptide C5A1 Homo Sapiens C089 peptide - Gi1/Beta1/Gamma2 2.8 2023-03-01 doi.org/10.1038/s41422-023-00779-2

A 2D representation of the interactions of ZAL in 7Y67
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
L:L:?4 R:R:I96 2.68 0 Yes No 0 5 0 1
L:L:?4 R:R:H100 14.5 0 Yes No 0 4 0 1
R:R:D282 R:R:V286 4.38 9 Yes Yes 4 5 2 2
L:L:W5 R:R:D282 5.58 9 Yes Yes 0 4 1 2
L:L:?6 R:R:D282 8.66 9 Yes Yes 0 4 2 2
L:L:W5 R:R:V286 22.07 9 Yes Yes 0 5 1 2
L:L:?6 R:R:V286 5.94 9 Yes Yes 0 5 2 2
L:L:?4 L:L:W5 4.28 0 Yes Yes 0 0 0 1
L:L:?6 L:L:W5 9.09 9 Yes Yes 0 0 2 1
L:L:?4 R:R:L92 1.3 0 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub1.00
Average Interaction Strength5.69
Average Nodes In Shell8.00
Average Hubs In Shell5.00
Average Links In Shell10.00
Average Links Mediated by Hubs In Shell10.00
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
8HPT A Peptide Complement Peptide C5A1 Mus Musculus C5a anaphylatoxin C-terminal peptide - Go/Beta1/Gamma2 3.39 2023-10-18 doi.org/10.1016/j.cell.2023.09.020

A 2D representation of the interactions of ZAL in 8HPT
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
L:L:?1 L:L:K2 8.54 2 No No 0 0 2 2
L:L:?1 L:L:P3 2.84 2 No Yes 0 0 2 1
L:L:K2 L:L:P3 5.02 2 No Yes 0 0 2 1
L:L:?4 L:L:P3 4.63 2 Yes Yes 0 0 0 1
L:L:P3 R:R:E280 6.29 2 Yes No 0 3 1 2
L:L:?4 L:L:?5 25.53 2 Yes Yes 0 0 0 1
L:L:?4 R:R:R175 5.71 2 Yes Yes 0 4 0 1
L:L:?4 R:R:Y178 8.81 2 Yes No 0 1 0 1
L:L:?5 L:L:?6 28.26 2 Yes Yes 0 0 1 2
L:L:?5 R:R:L92 3.54 2 Yes No 0 6 1 2
L:L:?5 R:R:I116 4.87 2 Yes Yes 0 6 1 2
L:L:?5 R:R:L117 4.72 2 Yes No 0 4 1 2
L:L:?5 R:R:R175 3.11 2 Yes Yes 0 4 1 1
L:L:?5 R:R:Y259 4 2 Yes Yes 0 7 1 2
L:L:?5 R:R:V287 6.36 2 Yes No 0 5 1 2
L:L:?6 R:R:Y259 17.77 2 Yes Yes 0 7 2 2
R:R:I116 R:R:L92 2.85 2 Yes No 6 6 2 2
R:R:C109 R:R:Y178 5.38 0 No No 9 1 2 1
R:R:I110 R:R:R175 3.76 0 No Yes 7 4 2 1
R:R:P113 R:R:R175 8.65 0 No Yes 5 4 2 1
R:R:R175 R:R:S171 2.64 2 Yes No 4 5 1 2
R:R:T94 R:R:T95 1.57 0 No No 5 5 2 1
L:L:?4 R:R:T95 1.39 2 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.21
Average Nodes In Shell20.00
Average Hubs In Shell7.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell20.00
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 Links5.50
Average Number Of Links With An Hub2.88
Average Interaction Strength7.66
Average Nodes In Shell17.00
Average Hubs In Shell6.38
Average Links In Shell20.38
Average Links Mediated by Hubs In Shell18.75

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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 🔍)