Receptor
PDB id Resolution Class Description Source Keywords
2EAX 2.1 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN PGRP-IBETAC IN COMPLEX WITH GLYCO MURAMYL PENTAPEPTIDE HOMO SAPIENS ALPHA/BETA PEPTIDOGLYCAN-BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE BACTERICIDAL MECHANISM PEPTIDOGLYCAN RECOGNITION PROTEINS PROC.NATL.ACAD.SCI.USA V. 104 8761 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA FGA LYS DAL DAL AMV NAG L:502;
 Valid;
 none;
 Kd = 227 mM
980.012 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EAX 2.1 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN PGRP-IBETAC IN COMPLEX WITH GLYCO MURAMYL PENTAPEPTIDE HOMO SAPIENS ALPHA/BETA PEPTIDOGLYCAN-BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE BACTERICIDAL MECHANISM PEPTIDOGLYCAN RECOGNITION PROTEINS PROC.NATL.ACAD.SCI.USA V. 104 8761 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2EAX Kd = 227 mM ALA FGA LYS DAL DAL AMV NAG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 2APH - AMU ALA GMA LYS DAL DAL NH2 n/a n/a
2 1TWQ - AMU ALA GMA LYS NH2 n/a n/a
3 2EAX Kd = 227 mM ALA FGA LYS DAL DAL AMV NAG n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3RT4 Kd = 1.6 nM LP5 C34 H66 N O12 P CCCCCCCCCC....
2 3NG4 - NAG C8 H15 N O6 CC(=O)N[C@....
3 3NW3 Kd = 0.32 uM DGN ALA NDG LAC n/a n/a
4 3O4K Kd = 24 nM LTC C39 H70 N2 O13 CCCCCCCC=C....
5 2CB3 Kd = 27 nM MLD C37 H59 N7 O20 C[C@@H](C(....
6 2APH - AMU ALA GMA LYS DAL DAL NH2 n/a n/a
7 1TWQ - AMU ALA GMA LYS NH2 n/a n/a
8 2EAX Kd = 227 mM ALA FGA LYS DAL DAL AMV NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA FGA LYS DAL DAL AMV NAG; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA FGA LYS DAL DAL AMV NAG 1 1
2 AMV ALA FGA LYS DAL DAL 0.762712 0.95
3 AMU ALA NAG DGL 0.622951 0.9
4 MUB ALA NAG DGN 0.612903 0.916667
5 ALA FGA API DAL DAL MUB 0.575758 0.9
6 MUB ALA NAG GLN 0.574803 0.9
7 MUB ALA NAG ZGL 0.554688 0.916667
8 AMU ALA GMA LYS DAL DAL NH2 0.540741 0.933333
9 AMV NAG AMU NAG 0.533333 0.85
10 AH0 ALA FGA LYS 0.526718 0.890625
11 NM9 NAG 0.513043 0.85
12 ALA NAG AH0 DAL 0.507812 0.796875
13 MLD 0.506667 0.875
14 NAG AH0 ALA DGL API DAL DAL 0.503226 0.892308
15 AMU ALA GMA LYS NH2 0.477941 0.933333
16 MUB ALA ZGL ALY DAL NH2 0.471831 0.903226
17 AMU NAG 0.454545 0.833333
18 DGN ALA NDG LAC 0.4375 0.866667
19 UAG API 0.403409 0.721519
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA FGA LYS DAL DAL AMV NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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