Structure of PDB 3fb1 Chain B Binding Site BS01

Receptor Information
>3fb1 Chain B (length=270) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVTANIENVKKVAHHIQKLTSIVPEIGIICGSGLGKLADGVKDKITIPYT
KIPNFPQTVVGHSGNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPIRV
MKLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGPNQ
EAFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCYET
PAECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVESA
QRAELMQSWFEKIIEKLPKD
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 chain3fb1 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fb1 Purine nucleoside phosphorylase from Schistosoma mansoni in complex with ribose-1-phosphate.
Resolution2.002 Å
Binding residue
(original residue number in PDB)		G34 S35 R86 H88 Y90 N117 A118 Y202 M221 S222
Binding residue
(residue number reindexed from 1)		G31 S32 R82 H84 Y86 N113 A114 Y198 M217 S218
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S35 H66 H88 Y90 E91 A118 M221 S222 N245 S247
Catalytic site (residue number reindexed from 1) S32 H62 H84 Y86 E87 A114 M217 S218 N241 S243
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:3fb1, PDBe:3fb1, PDBj:3fb1
PDBsum3fb1
PubMed21169694
UniProtQ9BMI9

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