Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 9% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · chains A
• 7ZU · (1R,3S,5Z)-5-[(2E)-2-[(1r,3as,7ar)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7A-methyl-2,3,3A, 5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 5X7E · Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
• P18326 · AlphaFold monomer V2.0 prediction for vitamin D3 dihydroxylase (P18326) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P18326
• Elsewhere: RCSB PDB 5X7E · PDBe 5X7E · UniProt P18326