Receptor
PDB id Resolution Class Description Source Keywords
2FYU 2.26 Å EC: 1.10.2.2 CRYSTAL STRUCTURE OF BOVINE HEART MITOCHONDRIAL BC1 WITH JG1 INHIBITOR BOS TAURUS TRANSMEMBRANE HELICES 11 PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: SURFACE-MODULATED MOTION SWITCH: CAPTURE AND RELEAS IRON-SULFUR PROTEIN IN THE CYTOCHROME BC1 COMPLEX. PROC.NATL.ACAD.SCI.USA V. 103 13045 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FDN C:400;
 Valid;
 none;
 submit data
318.275 C16 H12 F2 N2 O3 C[C@@...
FES E:200;
 Part of Protein;
 none;
 submit data
175.82 Fe2 S2 S1[Fe...
HEM C:381;
C:382;
D:242;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FYU 2.26 Å EC: 1.10.2.2 CRYSTAL STRUCTURE OF BOVINE HEART MITOCHONDRIAL BC1 WITH JG1 INHIBITOR BOS TAURUS TRANSMEMBRANE HELICES 11 PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: SURFACE-MODULATED MOTION SWITCH: CAPTURE AND RELEAS IRON-SULFUR PROTEIN IN THE CYTOCHROME BC1 COMPLEX. PROC.NATL.ACAD.SCI.USA V. 103 13045 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2FYU - FDN C16 H12 F2 N2 O3 C[C@@]1(C(....
2 1L0L - FMX C22 H18 N2 O4 C[C@@]1(C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2FYU - FDN C16 H12 F2 N2 O3 C[C@@]1(C(....
2 1L0L - FMX C22 H18 N2 O4 C[C@@]1(C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2FYU - FDN C16 H12 F2 N2 O3 C[C@@]1(C(....
2 1L0L - FMX C22 H18 N2 O4 C[C@@]1(C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FDN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FDN 1 1
2 FMX 0.459459 0.883333
Similar Ligands (3D)
Ligand no: 1; Ligand: FDN; 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 : 2FYU; Ligand: FDN; 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: 2fyu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FYU; Ligand: FDN; 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: 2fyu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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