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

Analyse Structural disorder in the complex of human pxr and the macrolide antibiotic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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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