› 4z3y

X-ray diffraction
2.36Å resolution

Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA

Released:
DOI: 10.2210/pdb4z3y/pdb
PDB entry 4z3y coloured by chain, front view.
PDB entry 4z3y coloured by chain, side view.
PDB entry 4z3y coloured by chain, top view.
Source organism: Geobacter metallireducens GS-15
Primary publication:
Structural basis of enzymatic benzene ring reduction.
Weinert T, Huwiler SG, Kung JW, Weidenweber S, Hellwig P, Stärk HJ, Biskup T, Weber S, Cotelesage JJ, George GN, Ermler U, Boll M
Nat Chem Biol 11 586-91 (2015)
PMID: 26120796

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174478 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Aldehyde ferredoxin oxidoreductase N-terminal domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 653 amino acids
Theoretical weight: 73.9 KDa
Source organism: Geobacter metallireducens GS-15
Expression system: Geobacter metallireducens GS-15
UniProt:
  • Canonical: Q39TV8 (Residues: 1-653; Coverage: 100%)
Gene names: Gmet_2087, bamB-1
Sequence domains:
Structure domains:
4Fe-4S ferredoxin-type domain-containing protein Chains: E, F, G, H
Molecule details ›
Chains: E, F, G, H
Length: 179 amino acids
Theoretical weight: 20.13 KDa
Source organism: Geobacter metallireducens GS-15
Expression system: Geobacter metallireducens GS-15
UniProt:
  • Canonical: Q39TV9 (Residues: 1-179; Coverage: 100%)
Gene names: Gmet_2086, bamC-1
Sequence domains: 4Fe-4S binding domain

Ligands and Environments

6 bound ligands:
Ligand SF4 16 x SF4
Ligand MTE 8 x MTE
Ligand W 4 x W
Ligand MG 4 x MG
Ligand UNL 4 x UNL
Ligand BYC 4 x BYC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 125.767Å b: 116.256Å c: 143.973Å
α: 90° β: 110.43° γ: 90°
R-values:
R R work R free
0.242 0.242 0.275
Expression system: Geobacter metallireducens GS-15

Quick links

Citations

1 review citation

The Enzymology of Organic Transformations: A Survey of Name Reactions in Biological Systems.
Lin et al. (2017)
16 other articles

2 mentions without citation

The glycine N-acyltransferases, GLYAT and GLYATL1, contribute to the detoxification of isovaleryl-CoA - an in-silico and in vitro validation.
Kühn et al. (2023)
1 more