MolNFT v2 · #152627 · protein

PXR in complex with P2X4 inhibitor compound 25

6HTY: “PXR in complex with P2X4 inhibitor compound 25”. X-ray diffraction at 2.22, 1 ligand (GRH). MolNFT v2 #152627 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HTY
Type: protein
Length: 600 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.22
Source: Homo sapiens
UniProt: O75469, Q15788
Ligands: GRH

Structure

x-ray diffraction · resolution 2.22 · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	298	—	O75469, Q15788
B	—	protein	302	—	O75469, Q15788

Ligands and binding sites

GRH · (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide · ligand · chains B
DMS · Dimethyl sulfoxide · additive · 5 copies · chains A, B
GOL · Glycerol · additive · chains A

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

Compared structures

6HTY · Pxr in complex with P2X4 inhibitor compound 25 · the same entry in another collection · chain A against A, TM-score 1.00
O75469 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group I member 2… · a predicted model of the same protein · chain A against A, TM-score 0.93

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 O75469
Every structure of UniProt Q15788
Elsewhere: RCSB PDB 6HTY · PDBe 6HTY · UniProt O75469 · UniProt Q15788

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