MolNFT v2 · #144799 · protein

Crystal structure of human CYP3A4 bound to an inhibitor

6BDI: “Crystal structure of human CYP3A4 bound to an inhibitor”. X-ray diffraction at 2.57, 2 ligands (HEM, DEJ). MolNFT v2 #144799 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6BDI
Type: protein
Length: 462 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.57
Source: Homo sapiens
UniProt: P08684
Ligands: HEM, DEJ

Structure

x-ray diffraction · resolution 2.57 · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	462	—	P08684

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
DEJ · Tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl) methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate · ligand · chains A

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

Compared structures

6BDI · Crystal structure of human CYP3A4 bound to an inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P08684 · AlphaFold monomer V2.0 prediction for cytochrome P450 3A4 (P08684) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 6BDI · PDBe 6BDI · UniProt P08684

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