Structure of PDB 5vn4 Chain A Binding Site BS02

Receptor Information
>5vn4 Chain A (length=237) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMSLVEVLPNYFTLSKDSPLRKKFEKVYKWYSPAFSPHDVPRFAEVGNI
TENPEVMRGIRDFFVDRYKNLQQPITHILGFDSRGFLLGPMIAVELNVPF
VLIRKANKIAGVIIKSEPYTKEYAAESEECMTVRFGSFDKNSRVVLIDDV
IATGGTMLAGVQLVDACGATLVEVAGILGLTFLKGTQPAHTFAGGRYSNV
PFVTLVDETVLSDENCGDPLHHKGSRIISCAEAKKLI
Ligand information
Ligand IDHSX
InChIInChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyKTVPXOYAKDPRHY-AIHAYLRMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O
FormulaC5 H11 O8 P
Name5-O-phosphono-alpha-D-ribofuranose;
5-O-phosphono-alpha-D-ribose;
5-O-phosphono-D-ribose;
5-O-phosphono-ribose
ChEMBLCHEMBL605020
DrugBank
ZINCZINC000004096190
PDB chain5vn4 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vn4 Crystal structure of adenine phosphoribosyl transferase from Trypanosoma brucei in complex with AMP, pyrophosphate, and ribose-5-phosphate
Resolution1.35 Å
Binding residue
(original residue number in PDB)		R82 K119 E120 Y121 D146 D147 V148 A150 T151 G152 T154
Binding residue
(residue number reindexed from 1)		R84 K121 E122 Y123 D148 D149 V150 A152 T153 G154 T156
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R82 E120
Catalytic site (residue number reindexed from 1) R84 E122
Enzyme Commision number 2.4.2.7: adenine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0003999 adenine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Cellular Component
GO:0005737 cytoplasm
GO:0020015 glycosome
GO:0031981 nuclear lumen
GO:0097014 ciliary plasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5vn4, PDBe:5vn4, PDBj:5vn4
PDBsum5vn4
PubMed
UniProtQ57V32

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