Structure of PDB 1i14 Chain A Binding Site BS01

Receptor Information
>1i14 Chain A (length=187) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEFAEKILFTEEEIRTRIKEVAKRIADDYKGKGLRPYVNPLVLISVLKGS
FMFTADLCRALCDFNVPVRMEFICVSSYGEGLTSSGQVRMLLDTRHSIEG
HHVLIVEDIVETALTLNYLYHMYFTRRPASLKTVVLLDKREGRRVPFSAD
YVVANIPNAFVIGYGLDYDDTYRELRDIVVLRPEVYA
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 chain1i14 Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1i14 The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		I113 K143 F164 V165
Binding residue
(residue number reindexed from 1)		I109 K139 F160 V161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E111 D112 E115 F164 R177
Catalytic site (residue number reindexed from 1) E107 D108 E111 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1i14, PDBe:1i14, PDBj:1i14
PDBsum1i14
PubMed11258886
UniProtQ4DRC4

[Back to BioLiP]