› 4wnw

X-ray diffraction
3.3Å resolution

Human Cytochrome P450 2D6 Thioridazine Complex

Released:
DOI: 10.2210/pdb4wnw/pdb
PDB entry 4wnw coloured by chain, front view.
PDB entry 4wnw coloured by chain, side view.
PDB entry 4wnw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Contributions of ionic interactions and protein dynamics to cytochrome P450 2D6 (CYP2D6) substrate and inhibitor binding.
Wang A, Stout CD, Zhang Q, Johnson EF
J Biol Chem 290 5092-5104 (2015)
PMID: 25555909

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145367 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2D6 Chains: A, B
Molecule details ›
Chains: A, B
Length: 479 amino acids
Theoretical weight: 53.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10635 (Residues: 34-497; Coverage: 93%)
Gene names: CYP2D6, CYP2DL1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 2 x HEM
Ligand RTZ 2 x RTZ
Ligand NA 2 x NA
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: C2
Unit cell:
a: 194.19Å b: 55.349Å c: 145.223Å
α: 90° β: 134.19° γ: 90°
R-values:
R R work R free
0.244 0.242 0.287
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Matrix metalloproteinases (MMPs), the main extracellular matrix (ECM) enzymes in collagen degradation, as a target for anticancer drugs.
Jabłońska-Trypuć et al. (2016)
6 more

9 mentions without citation

Recent Structural Insights into Cytochrome P450 Function.
Guengerich et al. (2016)
8 more