Receptor
PDB id Resolution Class Description Source Keywords
6ENO 1.64 Å EC: 7.-.-.- DOUBLE CUBANE CLUSTER OXIDOREDUCTASE CARBOXYDOTHERMUS HYDROGENOFORMANS (STRBAA-161 / DSM 6008 / Z-2901) DOUBLE CUBANE CLUSTER IRON-SULFUR PROTEIN ACETYLENE REDUCTOXIDOREDUCTASE
Ref.: ATP-DEPENDENT SUBSTRATE REDUCTION AT AN [FE8S9] DOUBLE-CUBANE CLUSTER. PROC. NATL. ACAD. SCI. V. 115 2994 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:502;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
BJ8 A:501;
Valid;
none;
submit data
735.345 Fe8 S9 S([Fe...
GOL A:504;
A:503;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ENO 1.64 Å EC: 7.-.-.- DOUBLE CUBANE CLUSTER OXIDOREDUCTASE CARBOXYDOTHERMUS HYDROGENOFORMANS (STRBAA-161 / DSM 6008 / Z-2901) DOUBLE CUBANE CLUSTER IRON-SULFUR PROTEIN ACETYLENE REDUCTOXIDOREDUCTASE
Ref.: ATP-DEPENDENT SUBSTRATE REDUCTION AT AN [FE8S9] DOUBLE-CUBANE CLUSTER. PROC. NATL. ACAD. SCI. V. 115 2994 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 6ENO - BJ8 Fe8 S9 S([Fe]12[S....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 6ENO - BJ8 Fe8 S9 S([Fe]12[S....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6ENO - BJ8 Fe8 S9 S([Fe]12[S....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BJ8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BJ8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BJ8; 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 : 6ENO; Ligand: BJ8; 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: 6eno.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6ENO; Ligand: BJ8; 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: 6eno.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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