Structure of PDB 3bli Chain A Binding Site BS03

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 IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain3bli Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		R16 Y144 P177 T179
Binding residue
(residue number reindexed from 1)		R10 Y138 P171 T173
Annotation score5
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

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

[Back to BioLiP]