Receptor
PDB id Resolution Class Description Source Keywords
2I7O 1.5 Å NON-ENZYME: TRANSPORT STRUCTURE OF RE(4,7-DIMETHYL-PHEN)(THR124HIS)(LYS122TRP)(HIS AZCU(II), A RHENIUM MODIFIED AZURIN MUTANT PSEUDOMONAS AERUGINOSA AZURIN RHENIUM ELECRON TRANSFER TRYPTOPHAN ELECTRON TRAN
Ref.: TRYPTOPHAN-ACCELERATED ELECTRON FLOW THROUGH PROTEI SCIENCE V. 320 1760 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU A:901;
 Part of Protein;
 none;
 submit data
63.546 Cu [Cu+2...
REQ A:801;
 Valid;
 none;
 submit data
478.496 C17 H12 N2 O3 Re CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I7O 1.5 Å NON-ENZYME: TRANSPORT STRUCTURE OF RE(4,7-DIMETHYL-PHEN)(THR124HIS)(LYS122TRP)(HIS AZCU(II), A RHENIUM MODIFIED AZURIN MUTANT PSEUDOMONAS AERUGINOSA AZURIN RHENIUM ELECRON TRANSFER TRYPTOPHAN ELECTRON TRAN
Ref.: TRYPTOPHAN-ACCELERATED ELECTRON FLOW THROUGH PROTEI SCIENCE V. 320 1760 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 2I7O - REQ C17 H12 N2 O3 Re CC1=C2C=CC....
2 1I53 - DPT C14 H12 N2 Cc1ccnc2c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 2I7O - REQ C17 H12 N2 O3 Re CC1=C2C=CC....
2 1I53 - DPT C14 H12 N2 Cc1ccnc2c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 2I7O - REQ C17 H12 N2 O3 Re CC1=C2C=CC....
2 1I53 - DPT C14 H12 N2 Cc1ccnc2c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: REQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 REQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: REQ; Similar ligands found: 1
No: Ligand Similarity coefficient
1 RUI 0.8605
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I7O; Ligand: REQ; 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: 2i7o.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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