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MolNFT v1 · #168947 · protein

Human steroidogenic cytochrome P450 17A1 with 3-keto-5ALPHA- abiraterone analog

6WW0: “Human steroidogenic cytochrome P450 17A1 with 3-keto-5ALPHA- abiraterone analog”. X-ray diffraction, 3 ligands (HEM, UDJ, CL). MolNFT v1 #168947 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6WW0
Type
protein
Length
1,867 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P05093
Ligands
HEM, UDJ, CL

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein464—P05093
B—protein469—P05093
C—protein467—P05093
D—protein467—P05093

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
  • UDJ · (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one · ligand · 4 copies · chains A, B, C, D
  • CL · Chloride ion · ion · 2 copies · chains D

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

Compared structures

  • 6WW0 · Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog · 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 A against A, TM-score 0.96

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