Structure of PDB 2f62 Chain A Binding Site BS02

Receptor Information
>2f62 Chain A (length=158) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHHMRKIYIAGPAVFNPDMGASYYNKVRELLKKENVMPLIPTDNEAT
EALDIRQKNIQMIKDCDAVIADLSPFRGHEPDCGTAFEVGCAAALNKMVL
TFTSDRRNMREKYGSGVDKDNLRVEGFGLPFNLMLYDGVEVFDSFESAFK
YFLANFPS
Ligand information
Ligand ID12M
InChIInChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3
InChIKeySBUIQTMDIOLKAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCc1ccccc1CO
ACDLabs 10.04OCc1ccccc1CC
FormulaC9 H12 O
Name(2-ETHYLPHENYL)METHANOL
ChEMBLCHEMBL386156
DrugBank
ZINCZINC000002506781
PDB chain2f62 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f62 Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P46 E50 I57
Binding residue
(residue number reindexed from 1)		P44 E48 I55
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.6: nucleoside deoxyribosyltransferase.
Gene Ontology
Molecular Function
GO:0070694 deoxyribonucleoside 5'-monophosphate N-glycosidase activity
Biological Process
GO:0009159 deoxyribonucleoside monophosphate catabolic process
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2f62, PDBe:2f62, PDBj:2f62
PDBsum2f62
PubMed17004709
UniProtQ57VC7

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