Structure of PDB 2qo0 Chain A Binding Site BS02

Receptor Information
>2qo0 Chain A (length=328) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQEWIYTRTGIKTRRFAA
DDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAA
SLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTI
DMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWI
TFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFV
PHQFNSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTG
AAKPGDLALLIGYGAGLSYAAQVVRMPK
Ligand information
Ligand IDD1T
InChIInChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKeyVTXVGVNLYGSIAR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCS
ACDLabs 10.04SCCCCCCCCCC
FormulaC10 H22 S
NameDECANE-1-THIOL
ChEMBL
DrugBankDB07611
ZINCZINC000016052462
PDB chain2qo0 Chain B Residue 761 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qo0 Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Q86 T87
Binding residue
(residue number reindexed from 1)		Q90 T91
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.301: mycobacterial beta-ketoacyl-[acyl carrier protein] synthase III.
Gene Ontology
Molecular Function
GO:0000062 fatty-acyl-CoA binding
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0005515 protein binding
GO:0016746 acyltransferase activity
GO:0033818 beta-ketoacyl-acyl-carrier-protein synthase III activity
GO:0061990 beta-ketodecanoyl-[acyl-carrier-protein] synthase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0008610 lipid biosynthetic process
GO:0030497 fatty acid elongation
GO:0035336 long-chain fatty-acyl-CoA metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qo0, PDBe:2qo0, PDBj:2qo0
PDBsum2qo0
PubMed18420147
UniProtP9WNG3|FABH_MYCTU Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III (Gene Name=fabH)

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