Receptor
PDB id Resolution Class Description Source Keywords
1TWQ 2.3 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE C-TERMINAL PGN-BINDING DOMAIN OF HU IALPHA IN COMPLEX WITH PGN ANALOG MURAMYL TRIPEPTIDE HOMO SAPIENS CRYSTAL STRUCTURE; COMPLEX; PGRP; PGRP-IALPHA; PGN ANALOG ISYSTEM MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS FOR PEPTIDOGLYCAN BINDING BY PEPTI RECOGNITION PROTEINS PROC.NATL.ACAD.SCI.USA V. 101 17168 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMU ALA GMA LYS NH2 P:995;
 Valid;
 none;
 submit data
621.689 n/a O=C([...
NI A:900;
 Part of Protein;
 none;
 submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2APH 2.1 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF HUMAN PGRP-IALPHAC IN COMPLEX WITH MURA PENTAPEPTIDE HOMO SAPIENS PGRPS LYS-TYPE PEPTIDOGLYCAN COMPLEX IMMUNE SYSTEM
Ref.: CRYSTAL STRUCTURE OF HUMAN PEPTIDOGLYCAN RECOGNITIO I ALPHA BOUND TO A MURAMYL PENTAPEPTIDE FROM GRAM-P BACTERIA. PROTEIN SCI. V. 15 1199 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 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
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: AMU ALA GMA LYS NH2; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 AMU ALA GMA LYS NH2 1 1
2 AMU ALA GMA LYS DAL DAL NH2 0.834951 1
3 MUB ALA ZGL ALY DAL NH2 0.743119 0.965517
4 3LT 0.697917 0.910714
5 DGN ALA NDG LAC 0.601942 0.928571
6 ALA FGA API DAL DAL MUB 0.588235 0.964286
7 AMV ALA FGA LYS DAL DAL 0.561983 0.982456
8 AH0 ALA FGA LYS 0.547009 0.918033
9 MUB ALA NAG ZGL 0.487603 0.881356
10 ALA FGA LYS DAL DAL AMV NAG 0.477941 0.933333
11 AMU 0.4375 0.767857
12 MUB ALA NAG DGN 0.425197 0.881356
13 AMU ALA NAG DGL 0.420635 0.864407
14 UML 0.4 0.696203
Similar Ligands (3D)
Ligand no: 1; Ligand: AMU ALA GMA LYS NH2; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2APH; Ligand: AMU ALA GMA LYS DAL DAL NH2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2aph.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2APH; Ligand: AMU ALA GMA LYS DAL DAL NH2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2aph.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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