Structure of PDB 2bsx Chain A Binding Site BS01

Receptor Information
>2bsx Chain A (length=241) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSV
ECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLI
KRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVF
NGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTG
GILIVDGCPFKWDELVPHQLENMIKIALGACAKLATKYALE
Ligand information
Ligand IDNOS
InChIInChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKeyUGQMRVRMYYASKQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.6c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O
OpenEye OEToolkits 2.0.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O
FormulaC10 H12 N4 O5
NameINOSINE
ChEMBLCHEMBL1556
DrugBankDB04335
ZINCZINC000008855117
PDB chain2bsx Chain A Residue 1248 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bsx Structures of Plasmodium Falciparum Purine Nucleoside Phosphorylase Complexed with Sulfate and its Natural Substrate Inosine
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S91 C92 Y160 M183 E184
Binding residue
(residue number reindexed from 1)		S91 C92 Y160 M183 E184
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H7 G23 R27 R45 E77 R88 S91 D206 G207 P209 V222
Catalytic site (residue number reindexed from 1) H7 G23 R27 R45 E77 R88 S91 D206 G207 P209 V216
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
2.4.2.44: S-methyl-5'-thioinosine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0004850 uridine phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0017061 S-methyl-5-thioadenosine phosphorylase activity
GO:0047975 guanosine phosphorylase activity
Biological Process
GO:0006148 inosine catabolic process
GO:0006166 purine ribonucleoside salvage
GO:0006195 purine nucleotide catabolic process
GO:0006218 uridine catabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:2bsx, PDBe:2bsx, PDBj:2bsx
PDBsum2bsx
PubMed16131758
UniProtQ8I3X4|PNPH_PLAF7 Purine nucleoside phosphorylase (Gene Name=PNP)

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