Structure of PDB 5ko5 Chain A Binding Site BS01

Receptor Information
>5ko5 Chain A (length=283) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVANYENASMAADYIKRVSNVLPDIGIICGSGLGKLIEEIEERKVIPYIN
IPNFPKTTVAGHVGNLVLGSVGGRKIVAMQGRLHMYEGYSNQEIALPIRV
MKLLGVRVLLITNLAGGINRKLKSGDFVLIKGHINFPGLGLNNVLVGPNQ
DEFGPRFPDLSNAYDRLLQQLALKIAQENDFQDLVHEGVYAFNGGPTYES
PDESNMLLKLGCDVVGMSTVPEVIIACHCGIKVLAVSLIANNSILDAEND
VSINHEKVLAVAEKRADLLQMWFKEIITRLPLD
Ligand information
Ligand IDCYT
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKeyOPTASPLRGRRNAP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1N=CC=C(N)N1
OpenEye OEToolkits 1.5.0C1=C(NC(=O)N=C1)N
CACTVS 3.341NC1=CC=NC(=O)N1
FormulaC4 H5 N3 O
Name6-AMINOPYRIMIDIN-2(1H)-ONE;
CYTOSINE
ChEMBLCHEMBL15913
DrugBank
ZINCZINC000000895210
PDB chain5ko5 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ko5 The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		L118 A119 G120 Y202 E203 M221
Binding residue
(residue number reindexed from 1)		L114 A115 G116 Y198 E199 M217
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.57,Kd=27uM
Enzymatic activity
Catalytic site (original residue number in PDB) S35 H66 H88 Y90 E91 L118 M221 S222 N245 S247 H259
Catalytic site (residue number reindexed from 1) S31 H62 H84 Y86 E87 L114 M217 S218 N241 S243 H255
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0047975 guanosine phosphorylase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ko5, PDBe:5ko5, PDBj:5ko5
PDBsum5ko5
PubMed30192840
UniProtA0A0U3AGT1

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