Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17ALPHA-hydroxypregnenolone

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 11% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
• LZZ · (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one · ligand · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• B–C · 2180 Ų buried · 23 hydrogen bonds · protein-protein
• A–D · 2157 Ų buried · 22 hydrogen bonds · protein-protein
• A–B · 919 Ų buried · 8 hydrogen bonds · protein-protein
• A–C · 370 Ų buried · 4 hydrogen bonds · protein-protein
• B–D · 328 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 4NKZ · Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate… · the same entry in another collection · chain D against D, TM-score 1.00
• P05093 · AlphaFold monomer V2.0 prediction for steroid 17-alpha- HYDROXYLASE/17,20 lyase (P05093) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 P05093
• Elsewhere: RCSB PDB 4NKZ · PDBe 4NKZ · UniProt P05093