Receptor
PDB id Resolution Class Description Source Keywords
3D2Y 1.75 Å EC: 3.5.1.28 COMPLEX OF THE N-ACETYLMURAMYL-L-ALANINE AMIDASE AMID FROM E THE SUBSTRATE ANHYDRO-N-ACETYLMURAMIC ACID-L-ALA-D-GAMMA-GL ESCHERICHIA COLI ZINC AMIDASE PGRP PEPTIDOGLYCAN RECOGNIZING PROTEIN AMPDACETYLMURAMYL-L-ALANINE AMIDASE CELL WALL BIOGENESIS/DEGRAHYDROLASE LIPOPROTEIN MEMBRANE METAL-BINDING OUTER MEMBPALMITATE
Ref.: SPECIFIC STRUCTURAL FEATURES OF THE N-ACETYLMURAMOYL-L-ALANINE AMIDASE AMID FROM ESCHER COLI AND MECHANISTIC IMPLICATIONS FOR ENZYMES OF TH FAMILY. J.MOL.BIOL. V. 397 249 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AH0 ALA FGA LYS B:1;
Valid;
none;
submit data
602.618 n/a O=C([...
GOL A:262;
A:263;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D2Y 1.75 Å EC: 3.5.1.28 COMPLEX OF THE N-ACETYLMURAMYL-L-ALANINE AMIDASE AMID FROM E THE SUBSTRATE ANHYDRO-N-ACETYLMURAMIC ACID-L-ALA-D-GAMMA-GL ESCHERICHIA COLI ZINC AMIDASE PGRP PEPTIDOGLYCAN RECOGNIZING PROTEIN AMPDACETYLMURAMYL-L-ALANINE AMIDASE CELL WALL BIOGENESIS/DEGRAHYDROLASE LIPOPROTEIN MEMBRANE METAL-BINDING OUTER MEMBPALMITATE
Ref.: SPECIFIC STRUCTURAL FEATURES OF THE N-ACETYLMURAMOYL-L-ALANINE AMIDASE AMID FROM ESCHER COLI AND MECHANISTIC IMPLICATIONS FOR ENZYMES OF TH FAMILY. J.MOL.BIOL. V. 397 249 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3D2Y - AH0 ALA FGA LYS n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3D2Y - AH0 ALA FGA LYS n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3D2Y - AH0 ALA FGA LYS n/a n/a
2 4BOL - J0J C18 H31 N5 O9 C[C@H](C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AH0 ALA FGA LYS; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 AH0 ALA FGA LYS 1 1
2 89A 0.606383 0.836066
3 AMV ALA FGA LYS DAL DAL 0.59322 0.903226
4 AMU ALA GMA LYS NH2 0.547009 0.918033
5 ALA FGA LYS DAL DAL AMV NAG 0.526718 0.890625
6 AMU ALA GMA LYS DAL DAL NH2 0.516129 0.918033
7 ALA FGA API DAL DAL MUB 0.516129 0.885246
8 DGN ALA NDG LAC 0.504587 0.852459
9 AH0 0.46875 0.737705
10 MUB ALA ZGL ALY DAL NH2 0.453846 0.888889
11 ALA NAG AH0 DAL 0.453782 0.84127
12 MLD 0.450704 0.920635
13 NAG AH0 ALA DGL API DAL DAL 0.439189 0.9375
14 AMU ALA NAG DGL 0.424 0.825397
15 3LT 0.421053 0.836066
16 MUB ALA NAG DGN 0.417323 0.84127
17 UAG API 0.409938 0.7125
Similar Ligands (3D)
Ligand no: 1; Ligand: AH0 ALA FGA LYS; 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 : 3D2Y; Ligand: AH0 ALA FGA LYS; 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: 3d2y.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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