Structure of PDB 1w66 Chain A Binding Site BS01

Receptor Information
>1w66 Chain A (length=218) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMAGSIRSKLSAIDVRQLGTVDYRTAWQLQRELADARVAGGADTLLLLE
HPAVYTAGRRTETHERPIDGTPVVDTDRGGKITWHGPGQLVGYPIIGLAE
PLDVVNYVRRLEESLIQVCADLGLHAGRVDGRSGVWLPGRPARKVAAIGV
RVSRATTLHGFALNCDCDLAAFTAIVPCGISDAAVTSLSAELGRTVTVDE
VRATVAAAVCAALDGVLP
Ligand information
Ligand IDDKA
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKeyGHVNFZFCNZKVNT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.0CCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCC
FormulaC10 H20 O2
NameDECANOIC ACID
ChEMBLCHEMBL107498
DrugBankDB03600
ZINCZINC000001529229
PDB chain1w66 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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PDB1w66 The Mycobacterium Tuberculosis Lipb Enzyme Functions as a Cysteine/Lysine Dyad Acyltransferase.
Resolution1.08 Å
Binding residue
(original residue number in PDB)		R76 G78 K79 A145 G158 F159 C176
Binding residue
(residue number reindexed from 1)		R78 G80 K81 A147 G160 F161 C178
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.181: lipoyl(octanoyl) transferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0033819 lipoyl(octanoyl) transferase activity
Biological Process
GO:0009107 lipoate biosynthetic process
GO:0009249 protein lipoylation
GO:0036211 protein modification process
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1w66, PDBe:1w66, PDBj:1w66
PDBsum1w66
PubMed16735476
UniProtP9WK83|LIPB_MYCTU Octanoyltransferase (Gene Name=lipB)

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