Receptor
PDB id Resolution Class Description Source Keywords
3CL7 1.8 Å EC: 3.5.2.5 CRYSTAL STRUCTURE OF PUUE ALLANTOINASE IN COMPLEX WITH HYDANTOIN PSEUDOMONAS FLUORESCENS ALLANTOINASE URIC ACID DEGRADATION HYDANTOIN HYDROLASE
Ref.: LOGICAL IDENTIFICATION OF AN ALLANTOINASE ANALOG (PUUE) RECRUITED FROM POLYSACCHARIDE DEACETYLASES J.BIOL.CHEM. V. 283 23295 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HYN A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
100.076 C3 H4 N2 O2 C1C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CL7 1.8 Å EC: 3.5.2.5 CRYSTAL STRUCTURE OF PUUE ALLANTOINASE IN COMPLEX WITH HYDANTOIN PSEUDOMONAS FLUORESCENS ALLANTOINASE URIC ACID DEGRADATION HYDANTOIN HYDROLASE
Ref.: LOGICAL IDENTIFICATION OF AN ALLANTOINASE ANALOG (PUUE) RECRUITED FROM POLYSACCHARIDE DEACETYLASES J.BIOL.CHEM. V. 283 23295 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HYN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HYN 1 1
2 BR8 0.52381 0.638298
3 DUC 0.44 0.755556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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