› 6u30

X-ray diffraction
1.66Å resolution

The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4

Released:
DOI: 10.2210/pdb6u30/pdb
PDB entry 6u30 coloured by chain, front view.
PDB entry 6u30 coloured by chain, side view.
PDB entry 6u30 coloured by chain, top view.
Source organism: Rhodopseudomonas palustris HaA2
Primary publication:
Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Podgorski MN, Harbort JS, Coleman T, Stok JE, Yorke JA, Wong LL, Bruning JB, Bernhardt PV, De Voss JJ, Harmer JR, Bell SG
Biochemistry 59 1038-1050 (2020)
PMID: 32058707

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: 410 amino acids
Theoretical weight: 44.59 KDa
Source organism: Rhodopseudomonas palustris HaA2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2IU02 (Residues: 1-410; Coverage: 100%)
Gene name: RPB_3613
Sequence domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand PQM 1 x PQM
Ligand HEM 1 x HEM
Ligand CL 1 x CL
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 44.39Å b: 51.46Å c: 78.82Å
α: 90° β: 92.11° γ: 90°
R-values:
R R work R free
0.153 0.151 0.193
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 citation in other articles

In Silico Structural, Functional, and Phylogenetic Analysis of Cytochrome (CYPD) Protein Family.
Ahmad et al. (2021)
3 more