Receptor
PDB id Resolution Class Description Source Keywords
5CIC 2.1 Å EC: 1.11.1.5 COMPLEX OF YEAST CYTOCHROME C PEROXIDASE (W191G) BOUND TO 3- AMINOBENZOTRIFLUORIDE WITH ISO-1 CYTOCHROME C SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) ELECTRON TRANSFER HEME PROTEINS ELECTRON HOPPING MULTI-STTUNNELING PHOTOCHEMISTRY ELECTRON TRANSPORT-OXIDOREDUCTAS
Ref.: CONSTRAINTS ON THE RADICAL CATION CENTER OF CYTOCHR PEROXIDASE FOR ELECTRON TRANSFER FROM CYTOCHROME C. BIOCHEMISTRY V. 55 4807 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:301;
C:301;
B:201;
D:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
51R C:302;
A:302;
Valid;
Valid;
none;
none;
submit data
161.124 C7 H6 F3 N c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CIC 2.1 Å EC: 1.11.1.5 COMPLEX OF YEAST CYTOCHROME C PEROXIDASE (W191G) BOUND TO 3- AMINOBENZOTRIFLUORIDE WITH ISO-1 CYTOCHROME C SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) ELECTRON TRANSFER HEME PROTEINS ELECTRON HOPPING MULTI-STTUNNELING PHOTOCHEMISTRY ELECTRON TRANSPORT-OXIDOREDUCTAS
Ref.: CONSTRAINTS ON THE RADICAL CATION CENTER OF CYTOCHR PEROXIDASE FOR ELECTRON TRANSFER FROM CYTOCHROME C. BIOCHEMISTRY V. 55 4807 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5CIC - 51R C7 H6 F3 N c1cc(cc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5CIC - 51R C7 H6 F3 N c1cc(cc(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5CIC - 51R C7 H6 F3 N c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 51R; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 51R 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CIC; Ligand: 51R; 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: 5cic.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CIC; Ligand: 51R; 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: 5cic.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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