› 2whf

X-ray diffraction
1.58Å resolution

Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines

Released:
DOI: 10.2210/pdb2whf/pdb
PDB entry 2whf coloured by chain, front view.
PDB entry 2whf coloured by chain, side view.
PDB entry 2whf coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
Podust LM, Ouellet H, von Kries JP, de Montellano PR
J Biol Chem 284 25211-9 (2009)
PMID: 19605350

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161994 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 130 Chain: A
Molecule details ›
Chain: A
Length: 413 amino acids
Theoretical weight: 45.71 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WPN5 (Residues: 2-405; Coverage: 100%)
Gene names: MTCY50.26, Rv1256c, cyp130
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand II4 2 x II4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: C2
Unit cell:
a: 160.897Å b: 53.942Å c: 44.047Å
α: 90° β: 96.73° γ: 90°
R-values:
R R work R free
0.2 0.196 0.24
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Diversity of P450 enzymes in the biosynthesis of natural products.
Podust et al. (2012)
6 more

2 mentions without citation

Conformational plasticity and structure/function relationships in cytochromes P450.
Pochapsky et al. (2010)
1 more