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Crystal structure of giardia guanine phosphoribosyltransferase complexed with immucilling

Analyse Crystal structure of giardia guanine phosphoribosyltransferase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1DQP
Type
protein
Length
460 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine phosphoribosyltransferase
EC
2.4.2.8
UniProt
Q24973
Ligands
IMG
Pockets
9 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGuanine phosphoribosyltransferase (EC 2.4.2.8)protein23036% helix, 23% strandQ24973

Ligands and binding sites

  • IMG · 1,4-dideoxy-1,4-imino-1-(S)-(9-deazaguanin-9-yl)-D-ribitol · ligand · 2 copies · chains A, B
  • IPA · Isopropyl alcohol · additive · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12450.610.8035empty
22770.570.7733IMG
32810.560.7731IMG
4930.350.7417empty
5870.340.7415empty

Interfaces

1 interface between chains.

  • A–B · 1790 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 1DQP · Crystal structure of giardia guanine phosphoribosyltransferase complexed with immucilling · the same entry in another collection · chain A against A, TM-score 1.00

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