Structure of PDB 3bje Chain B Binding Site BS02

Receptor Information
>3bje Chain B (length=327) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPIGKDGTTLHLKCKSDELADRIIFVGDPGRVDVISGYFDKDSIRASRD
HREIRFATGTYKGTPVTVISTGMGVDNIEIVLNEIHALKEYDMERGQWRH
RKGDADAPSAGPFFDPSTMKIIRLGTCGSPAESVPPLALAVTRHAIGMDN
TSLYYSAGTRETSKDQQEIRRIVREQTGLRAIDIYTSMAHPNITKSICAA
CDAHNAATGSEADKQQYVIGTTATASGFYGCQGRRVGRFMKHLTVPNMVE
ELGSLKFNLSNGVEVVTNIEMETSAICYLSDMLGYQAGAACVVVSKRVGE
KKMFLGDQLDAAMKRCIKIILEALVSA
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 chain3bje Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bje The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
Resolution1.44 Å
Binding residue
(original residue number in PDB)		G42 R46 R137 T140 M285 E286
Binding residue
(residue number reindexed from 1)		G28 R32 R123 T126 M271 E272
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0004850 uridine phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006218 uridine catabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bje, PDBe:3bje, PDBj:3bje
PDBsum3bje
PubMed20070944
UniProtQ57VZ2

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