› 7reh

X-ray diffraction
1.54Å resolution

Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid

Released:
DOI: 10.2210/pdb7reh/pdb
Model geometry
Fit model/data
PDB entry 7reh coloured by chain, front view.
PDB entry 7reh coloured by chain, side view.
PDB entry 7reh coloured by chain, top view.
Source organism: Rhodopseudomonas palustris HaA2
Primary publication:
An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Podgorski MN, Harbort JS, Lee JHZ, Nguyen GT, Bruning JB, Donald WA, Bernhardt PV, Harmer JR, Bell SG
ACS Catalysis 1614-1625 (2022)

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: 44.62 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

5 bound ligands:
Ligand ANN 1 x ANN
Ligand CL 1 x CL
Ligand MG 1 x MG
Ligand ACT 3 x ACT
Ligand HEM 1 x HEM
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 41.31Å b: 51.51Å c: 79.65Å
α: 90° β: 92.21° γ: 90°
R-values:
R R work R free
0.172 0.171 0.203
Expression system: Escherichia coli BL21(DE3)

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