MolNFT v1 · #21770 · protein

Structural disorder in the complex of human pxr and the macrolide antibiotic rifampicin

1SKX · Orphan nuclear receptor pxr: “Structural disorder in the complex of human pxr and the macrolide antibiotic rifampicin”. X-ray diffraction, 1 ligand (RFP), 2 pockets (best druggability 0.76). MolNFT v1 #21770 on GenesisL1: 3D…

PDB: 1SKX
Type: protein
Length: 242 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Orphan nuclear receptor pxr
UniProt: O75469
Ligands: RFP
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Orphan nuclear receptor pxr	protein	242	61% helix, 9% strand	O75469

Ligands and binding sites

RFP · Rifampicin · ligand · 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	567	0.76	0.82	31	RFP
2	72	0.33	0.75	15	empty

Compared structures

1SKX · Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin · 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 1SKX · PDBe 1SKX · UniProt O75469

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