Structure of PDB 1a9t Chain A Binding Site BS01

Receptor Information
>1a9t Chain A (length=284) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MANGYTYEDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDY
SEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPV
RVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGP
NEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNF
ETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDTE
SQGKANHEEVLEAGKQAAQKLEQFVSLLMASIPV
Ligand information
Ligand IDR1P
InChIInChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
InChIKeyYXJDFQJKERBOBM-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)OP(=O)(O)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H]1O
CACTVS 3.341OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH]1O
ACDLabs 10.04O=P(OC1OC(C(O)C1O)CO)(O)O
FormulaC5 H11 O8 P
Name1-O-phosphono-alpha-D-ribofuranose;
RIBOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-ribose;
1-O-phosphono-D-ribose;
1-O-phosphono-ribose
ChEMBLCHEMBL603367
DrugBankDB03101
ZINCZINC000004228268
PDB chain1a9t Chain A Residue 291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1a9t Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S33 R84 H86 Y88 N115 A116 F200 M219 S220 V260
Binding residue
(residue number reindexed from 1)		S33 R84 H86 Y88 N115 A116 F200 M219 S220 V260
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S33 H64 H86 Y88 E89 A116 M219 S220 N243 V245 H257
Catalytic site (residue number reindexed from 1) S33 H64 H86 Y88 E89 A116 M219 S220 N243 V245 H257
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:0016763 pentosyltransferase activity
GO:0047975 guanosine phosphorylase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006166 purine ribonucleoside salvage
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:1a9t, PDBe:1a9t, PDBj:1a9t
PDBsum1a9t
PubMed9585525
UniProtP55859|PNPH_BOVIN Purine nucleoside phosphorylase (Gene Name=PNP)

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