Structure of PDB 1i13 Chain B Binding Site BS01

Receptor Information
>1i13 Chain B (length=193) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEFAEKILFTEEEIRTRIKEVAKRIADDYKGKGLRPYVNPLVLISVLKGS
FMFTADLCRALCDFNVPVRMEFICVSSYGEGLTSSGQVRMLLDTRHSIEG
HHVLIVEDIVATALTLNYLYHMYFTRRPASLKTVVLLDKREGRRVPFSAD
YVVANIPNAFVIGYGLDYDDTYRELRDIVVLRPEVYAEREAAR
Ligand information
Ligand ID7HP
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChIKeyJFZSDNLQDTYVEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c(O)c2c(nc1)cnn2
CACTVS 3.341Oc1ncnc2cn[nH]c12
OpenEye OEToolkits 1.5.0c1c2c(c(ncn2)O)[nH]n1
FormulaC5 H4 N4 O
Name7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE
ChEMBL
DrugBank
ZINCZINC000011592630
PDB chain1i13 Chain B Residue 810 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i13 The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		Y82 A115 K143 F164 V165
Binding residue
(residue number reindexed from 1)		Y78 A111 K139 F160 V161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E111 D112 A115 F164 R177
Catalytic site (residue number reindexed from 1) E107 D108 A111 F160 R173
Enzyme Commision number 2.4.2.8: hypoxanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004422 hypoxanthine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
GO:0052657 guanine phosphoribosyltransferase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0006178 guanine salvage
GO:0032263 GMP salvage
GO:0032264 IMP salvage
GO:0046100 hypoxanthine metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1i13, PDBe:1i13, PDBj:1i13
PDBsum1i13
PubMed11258886
UniProtQ4DRC4

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