Structure of PDB 2vbg Chain A Binding Site BS01

Receptor Information
>2vbg Chain A (length=546) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSSGLMYTVGDYLLDRLHELGIEEIFGVPGDYNLQFLDQIISREDMKWIG
NANELNASYMADGYARTKKAAAFLTTFGVGELSAINGLAGSYAENLPVVE
IVGSPTSKVQNDGKFVHHTLADGDFKHFMKMHEPVTAARTLLTAENATYE
IDRVLSQLLKERKPVYINLPVDVAAAKAEKPALSLENTTEQVILSKIEES
LKNAQKPVVIAGHEVISFGLEKTVTQFVSETKLPITTLNFGKSAVDESLP
SFLGIYNGKLSEISLKNFVESADFILMLGVKLTDSSTGAFTHHLDENKMI
SLNIDEGIIFNKVVEDFDFRAVVSSLSELKGIEYEGQYIDKQYEEFIPSS
APLSQDRLWQAVESLTQSNETIVAEQGTSFFGASTIFLKSNSRFIGQPLW
GSIGYTFPAALGSQIADKESRHLLFIGDGSLQLTVQELGLSIREKLNPIC
FIINNDGYTVEREIHGPTQSYNDIPMWNYSKLPETFGATEDRVVSKIVRT
ENEFVSVMKEAQADVNRMYWIELVLEKEDAPKLLKKMGKLFAEQNK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2vbg Chain A Residue 1548 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vbg Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D429 N456 G458
Binding residue
(residue number reindexed from 1)		D428 N455 G457
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004737 pyruvate decarboxylase activity
GO:0016831 carboxy-lyase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0047433 branched-chain-2-oxoacid decarboxylase activity
Biological Process
GO:0000949 aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
GO:0009082 branched-chain amino acid biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vbg, PDBe:2vbg, PDBj:2vbg
PDBsum2vbg
PubMed18084069
UniProtQ6QBS4

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