Structure of PDB 2f67 Chain A Binding Site BS01

Receptor Information
>2f67 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 ID12B
InChIInChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKeyGPYLCFQEKPUWLD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1Nc2cccc3cccc1c23
OpenEye OEToolkits 1.5.0c1cc2cccc3c2c(c1)C(=O)N3
ACDLabs 10.04O=C3c2cccc1cccc(c12)N3
FormulaC11 H7 N O
NameBENZO[CD]INDOL-2(1H)-ONE
ChEMBLCHEMBL217045
DrugBank
ZINCZINC000000162129
PDB chain2f67 Chain A Residue 382 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f67 Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E127 N134 L135
Binding residue
(residue number reindexed from 1)		E125 N132 L133
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:2f67, PDBe:2f67, PDBj:2f67
PDBsum2f67
PubMed17004709
UniProtQ57VC7

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