Structure of PDB 1kpg Chain C Binding Site BS01

Receptor Information
>1kpg Chain C (length=285) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DELKPHFANVQAHYDLSDDFFRLFLDPTQTYSCAYFERDDMTLQEAQIAK
IDLALGKLGLQPGMTLLDVGCGWGATMMRAVEKYDVNVVGLTLSKNQANH
VQQLVANSENLRSKRVLLAGWEQFDEPVDRIVSIGAFEHFGHERYDAFFS
LAHRLLPADGVMLLHTITGLHPKEIHERGLPMSFTFARFLKFIVTEIFPG
GRLPSIPMVQECASANGFTVTRVQSLQPHYAKTLDLWSAALQANKGQAIA
LQSEEVYERYMKYLTGCAEMFRIGYIDVNQFTCQK
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain1kpg Chain C Residue 3902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kpg Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S34 C35 G137 H167 I169 Y232
Binding residue
(residue number reindexed from 1)		S32 C33 G135 H165 I167 Y230
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.79: cyclopropane-fatty-acyl-phospholipid synthase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008825 cyclopropane-fatty-acyl-phospholipid synthase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0008610 lipid biosynthetic process
GO:0032259 methylation
GO:0046500 S-adenosylmethionine metabolic process
GO:0071768 mycolic acid biosynthetic 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:1kpg, PDBe:1kpg, PDBj:1kpg
PDBsum1kpg
PubMed11756461
UniProtP9WPB7|CMAS1_MYCTU Cyclopropane mycolic acid synthase 1 (Gene Name=cmaA1)

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