MolNFT v1 · #109702 · protein

Crystal structure of the hpxr-lbd obtained in presence of the pesticide trans-nonachlor

4XAO · Nuclear receptor subfamily 1 group I member 2: “Crystal structure of the hpxr-lbd obtained in presence of the pesticide trans-nonachlor”. X-ray diffraction, 2 pockets (best druggability 0.86). MolNFT v1 #109702 on GenesisL1: 3D…

PDB: 4XAO
Type: protein
Length: 275 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor subfamily 1 group I member 2
UniProt: O75469
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor subfamily 1 group I member 2	protein	275	59% helix, 8% strand	O75469

Ligands and binding sites

IPA · Isopropyl alcohol · additive · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	572	0.86	0.91	47	empty
2	65	0.33	0.76	18	empty

Compared structures

4XAO · Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor · 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 0.99

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 O75469
Elsewhere: RCSB PDB 4XAO · PDBe 4XAO · UniProt O75469

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