› 6udm

X-ray diffraction
3.08Å resolution

Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726

Released:
DOI: 10.2210/pdb6udm/pdb
PDB entry 6udm coloured by chain, front view.
PDB entry 6udm coloured by chain, side view.
PDB entry 6udm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Bart AG, Morais G, Vangala VR, Loadman PM, Pors K, Scott EE
Drug Metab. Dispos. (2021)

Function and Biology Details

Reactions catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
A hydroperoxy icosatetraenoate = an oxoicosatetraenoate + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138184 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 1A1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 491 amino acids
Theoretical weight: 55.94 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P04798 (Residues: 35-512; Coverage: 93%)
Gene name: CYP1A1
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
2 bound ligands:
Ligand Q4P 4 x Q4P
Ligand CPS 1 x CPS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P3121
Unit cell:
a: 241.281Å b: 241.281Å c: 125.298Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.209 0.209 0.22
Expression system: Homo sapiens

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