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MolNFT v1 · #154902 · protein

Crystal structure of E136F mutant of xanthine-guanine phosphoribosyltransferase from yersinia pestis

6KQC · Xanthine phosphoribosyltransferase: “Crystal structure of E136F mutant of xanthine-guanine phosphoribosyltransferase from yersinia pestis”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.50). MolNFT v1 #154902 on…

PDB
6KQC
Type
protein
Length
283 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xanthine phosphoribosyltransferase
EC
2.4.2.22
UniProt
Q8ZC05
Ligands
CL
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AXanthine phosphoribosyltransferase (EC 2.4.2.22)protein14230% helix, 29% strandQ8ZC05
BXanthine phosphoribosyltransferase (EC 2.4.2.22)protein14130% helix, 29% strandQ8ZC05

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.500.7624CL
21430.430.7520CL

Interfaces

1 interface between chains.

  • A–B · 1475 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 6KQC · Crystal structure of E136F mutant of Xanthine-guanine phosphoribosyltransferase from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8ZC05 · AlphaFold monomer V2.0 prediction for xanthine-guanine phosphoribosyltransferase (Q8ZC05) · a predicted model of the same protein · chain A against A, TM-score 0.97

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