Receptor
PDB id Resolution Class Description Source Keywords
2IBZ 2.3 Å EC: 1.10.2.2 YEAST CYTOCHROME BC1 COMPLEX WITH STIGMATELLIN SACCHAROMYCES CEREVISIAE MULTISUBUNIT MEMBRANE PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: A COMPARISON OF STIGMATELLIN CONFORMATIONS, FREE AN TO THE PHOTOSYNTHETIC REACTION CENTER AND THE CYTOC BC(1) COMPLEX. J.MOL.BIOL. V. 368 197 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FES E:4;
 Part of Protein;
 none;
 submit data
175.82 Fe2 S2 S1[Fe...
HEM C:401;
C:402;
D:3;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SMA C:505;
 Valid;
 none;
 submit data
514.65 C30 H42 O7 C/C=C...
UQ6 C:506;
 Valid;
 none;
 submit data
592.891 C39 H60 O4 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IBZ 2.3 Å EC: 1.10.2.2 YEAST CYTOCHROME BC1 COMPLEX WITH STIGMATELLIN SACCHAROMYCES CEREVISIAE MULTISUBUNIT MEMBRANE PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: A COMPARISON OF STIGMATELLIN CONFORMATIONS, FREE AN TO THE PHOTOSYNTHETIC REACTION CENTER AND THE CYTOC BC(1) COMPLEX. J.MOL.BIOL. V. 368 197 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2IBZ - SMA C30 H42 O7 C/C=C(C)/C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2IBZ - SMA C30 H42 O7 C/C=C(C)/C....
2 1EZV - SMA C30 H42 O7 C/C=C(C)/C....
3 1P84 - DBT C14 H17 N O3 S CCCCCCCC1=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2IBZ - SMA C30 H42 O7 C/C=C(C)/C....
2 1EZV - SMA C30 H42 O7 C/C=C(C)/C....
3 1P84 - DBT C14 H17 N O3 S CCCCCCCC1=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SMA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SMA 1 1
Ligand no: 2; Ligand: UQ6; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ6 1 1
2 9BR 0.464789 0.733333
3 UQ7 0.449275 0.780488
4 UQ9 0.449275 0.780488
5 UQ 0.449275 0.780488
6 UQ5 0.449275 0.756098
7 U10 0.449275 0.780488
8 UQ8 0.449275 0.780488
9 8PP 0.409091 0.769231
10 RNB 0.408451 0.711111
Similar Ligands (3D)
Ligand no: 1; Ligand: SMA; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: UQ6; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IBZ; Ligand: SMA; 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: 2ibz.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2IBZ; Ligand: UQ6; 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: 2ibz.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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