› 6c3j

X-ray diffraction
1.66Å resolution

The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4

Released:
DOI: 10.2210/pdb6c3j/pdb
PDB entry 6c3j coloured by chain, front view.
PDB entry 6c3j coloured by chain, side view.
PDB entry 6c3j coloured by chain, top view.
Source organism: Rhodopseudomonas palustris HaA2
Entry authors: Coleman T, Bruning JB, Bell SG

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173658 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 Chain: A
Molecule details ›
Chain: A
Length: 393 amino acids
Theoretical weight: 42.9 KDa
Source organism: Rhodopseudomonas palustris HaA2
Expression system: Escherichia coli
UniProt:
  • Canonical: Q2IU02 (Residues: 18-410; Coverage: 96%)
Gene name: RPB_3613
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand EJD 1 x EJD
Ligand HEM 1 x HEM
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 44.283Å b: 51.58Å c: 79.45Å
α: 90° β: 92.02° γ: 90°
R-values:
R R work R free
0.16 0.158 0.195
Expression system: Escherichia coli

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