Receptor
PDB id Resolution Class Description Source Keywords
5K8P 2.2 Å EC: 3.5.99.8 ZN2+/TETRAHEDRAL INTERMEDIATE-BOUND R289A 5-NITROANTHRANILAT AMINOHYDROLASE BRADYRHIZOBIUM SP. NITROAROMATICS DEAMINASE METALLOENZYME HYDROLASE
Ref.: ENZYMATIC HYDROLYSIS BY TRANSITION-METAL-DEPENDENT NUCLEOPHILIC AROMATIC SUBSTITUTION. NAT.CHEM.BIOL. V. 12 1031 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:501;
D:501;
H:501;
C:501;
B:501;
G:501;
E:501;
F:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
GOL D:502;
H:503;
F:502;
E:503;
G:503;
A:503;
B:503;
C:503;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
6R8 B:502;
A:502;
E:502;
G:502;
C:502;
H:502;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
200.149 C7 H8 N2 O5 C1C=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K8P 2.2 Å EC: 3.5.99.8 ZN2+/TETRAHEDRAL INTERMEDIATE-BOUND R289A 5-NITROANTHRANILAT AMINOHYDROLASE BRADYRHIZOBIUM SP. NITROAROMATICS DEAMINASE METALLOENZYME HYDROLASE
Ref.: ENZYMATIC HYDROLYSIS BY TRANSITION-METAL-DEPENDENT NUCLEOPHILIC AROMATIC SUBSTITUTION. NAT.CHEM.BIOL. V. 12 1031 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5K8P - 6R8 C7 H8 N2 O5 C1C=C(C=C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5K8P - 6R8 C7 H8 N2 O5 C1C=C(C=C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5K8P - 6R8 C7 H8 N2 O5 C1C=C(C=C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6R8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6R8 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K8P; Ligand: 6R8; 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: 5k8p.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5K8P; Ligand: 6R8; 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: 5k8p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5K8P; Ligand: 6R8; 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: 5k8p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5K8P; Ligand: 6R8; 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: 5k8p.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5K8P; Ligand: 6R8; 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: 5k8p.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5K8P; Ligand: 6R8; 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: 5k8p.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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