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Crystal structure of a complex between E.COLI hprt and imp

Analyse Crystal structure of a complex between E.COLI hprt and imp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1G9S
Type
protein
Length
338 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypoxanthine phosphoribosyltransferase
EC
2.4.2.8
UniProt
P0A9M2
Ligands
IMP, N
Pockets
3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHypoxanthine phosphoribosyltransferase (EC 2.4.2.8)protein16924% helix, 33% strandP0A9M2

Ligands and binding sites

  • IMP · Inosinic acid · ligand · chains A
  • N · Any 5'-monophosphate nucleotide · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11980.560.7920empty
22740.550.7634IMP
32380.540.7728N

Interfaces

1 interface between chains.

  • A–B · 1272 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 1G9S · Crystal structure of a complex between E.COLI hprt and imp · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A9M2 · AlphaFold monomer V2.0 prediction for hypoxanthine phosphoribosyltransferase (P0A9M2) · a predicted model of the same protein · chain A against A, TM-score 0.98

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