MolNFT v1 · #166361 · protein

Human CYP3A4 bound to an inhibitor

6UNJ: “Human CYP3A4 bound to an inhibitor”. X-ray diffraction, 2 ligands (HEM, QDY). MolNFT v1 #166361 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6UNJ
Type: protein
Length: 876 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P08684
Ligands: HEM, QDY

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	443	—	P08684
B	—	protein	433	—	P08684

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
QDY · tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate · ligand · 2 copies · chains A, B

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

Compared structures

6UNJ · Human CYP3A4 bound to an inhibitor · the same entry in another collection · chain B against B, TM-score 1.00
P08684 · AlphaFold monomer V2.0 prediction for cytochrome P450 3A4 (P08684) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P08684
Elsewhere: RCSB PDB 6UNJ · PDBe 6UNJ · UniProt P08684

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