Structure of PDB 2vfa Chain B Binding Site BS01

Receptor Information
>2vfa Chain B (length=205) Species: 5838,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFDPVFVKDDDGYDLDSFMIPAHYKKYLTKVLVPNGVIKNRIEKLARDVM
KEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKD
IKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVACL
FIKRTPLWNGFKADFVGFSIPDHFVVGYSLDYNEIFRDLDHCCLVNDEGK
KKYKA
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain2vfa Chain B Residue 1227 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vfa Crystal Structure of a Chimera of Human and Plasmodium Falciparum Hypoxanthine Guanine Phosphoribosyltransferases Provides Insights Into Oligomerization.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K77 K174 F195 V196 L201 D202
Binding residue
(residue number reindexed from 1)		K65 K153 F174 V175 L180 D181
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E142 D143 D146 F195 R208
Catalytic site (residue number reindexed from 1) E121 D122 D125 F174 R187
Enzyme Commision number 2.4.2.22: xanthine phosphoribosyltransferase.
2.4.2.8: hypoxanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0004422 hypoxanthine phosphoribosyltransferase activity
Biological Process
GO:0006166 purine ribonucleoside salvage

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vfa, PDBe:2vfa, PDBj:2vfa
PDBsum2vfa
PubMed18536021
UniProtP00492|HPRT_HUMAN Hypoxanthine-guanine phosphoribosyltransferase (Gene Name=HPRT1);
P20035|HGXR_PLAFG Hypoxanthine-guanine-xanthine phosphoribosyltransferase (Gene Name=LACZ)

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