Structure of PDB 3bli Chain A Binding Site BS01

Receptor Information
>3bli Chain A (length=311) Species: 173 (Leptospira interrogans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLEILDVTLRDGEQTRGVSFSTSEKLNIAKFLLQKLNVDRVEIASARVSK
GELETVQKIMEWAATEQLTERIEILGFVDGNKTVDWIKDSGAKVLNLLTK
GSLHHLEKQLGKTPKEFFTDVSFVIEYAIKSGLKINVYLEDWSNGFRNSP
DYVKSLVEHLSKEHIERIFLPDTLGVLSPEETFQGVDSLIQKYPDIHFEF
HGHNDYDLSVANSLQAIRAGVKGLHASINGLGERAGNTPLEALVTTIHDK
SNSKTNINEIAITEASRLVEVFSGKRISANRPIVGEDVFTQTAGVNLYAN
PILPERFGRKR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3bli Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bli Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D17 H207 H209
Binding residue
(residue number reindexed from 1)		D11 H201 H203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q20
Catalytic site (residue number reindexed from 1) Q14
Enzyme Commision number 2.3.3.21: (R)-citramalate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0019752 carboxylic acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3bli, PDBe:3bli, PDBj:3bli
PDBsum3bli
PubMed18498255
UniProtQ8F3Q1|CIMA_LEPIN (R)-citramalate synthase CimA (Gene Name=cimA)

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