Structure of PDB 5vn4 Chain A Binding Site BS01

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 IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain5vn4 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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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)		F42 A43 R82 E120 Y121 V148
Binding residue
(residue number reindexed from 1)		F44 A45 R84 E122 Y123 V150
Annotation score5
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

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

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