Receptor
PDB id Resolution Class Description Source Keywords
4P87 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF EST-Y29, A NOVEL PENICILLIN-BINDING PRO LACTAMASE HOMOLOG FROM A METAGENOMIC LIBRARY METAGENOME HYDROLASE PENICILLIN-BINDING PROTEIN BETA-LACTAMASE METAG
Ref.: CRYSTALLOGRAPHIC ANALYSIS AND BIOCHEMICAL APPLICATI NOVEL PENICILLIN-BINDING PROTEIN/ BETA-LACTAMASE HO FROM A METAGENOMIC LIBRARY. ACTA CRYSTALLOGR.,SECT.D V. 70 2455 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4NP A:401;
B:401;
Valid;
Valid;
none;
none;
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219.089 C6 H6 N O6 P c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P87 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF EST-Y29, A NOVEL PENICILLIN-BINDING PRO LACTAMASE HOMOLOG FROM A METAGENOMIC LIBRARY METAGENOME HYDROLASE PENICILLIN-BINDING PROTEIN BETA-LACTAMASE METAG
Ref.: CRYSTALLOGRAPHIC ANALYSIS AND BIOCHEMICAL APPLICATI NOVEL PENICILLIN-BINDING PROTEIN/ BETA-LACTAMASE HO FROM A METAGENOMIC LIBRARY. ACTA CRYSTALLOGR.,SECT.D V. 70 2455 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4P87 - 4NP C6 H6 N O6 P c1cc(ccc1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4P87 - 4NP C6 H6 N O6 P c1cc(ccc1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4P87 - 4NP C6 H6 N O6 P c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4NP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 4NP 1 1
2 B4N 0.714286 0.866667
3 PNP 0.694444 0.906977
4 GWM 0.527778 0.619048
5 NCH 0.520833 0.629032
6 4NS 0.487179 0.76
7 BPM 0.461538 0.613636
8 NPE 0.45283 0.716981
9 K4V 0.439024 0.75
10 HPS 0.432432 0.634146
11 PGG 0.423729 0.625
12 NPO 0.416667 0.756098
13 PNE 0.403226 0.655738
14 PDE 0.403226 0.655738
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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