Structure of PDB 3cv2 Chain A Binding Site BS02

Receptor Information
>3cv2 Chain A (length=524) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELAFTRPYGEQEKQILTAEAVEFLTELVTHFTPQRNKLLAARIQQQQDID
NGTLPDFISETASIRDADWKIRGIPADLEDRRVEITGPVERKMVINALNA
NVKVFMADFEDSLAPDWNKVIDGQINLRDAVNGTISYTNEAGKIYQLKPN
PAVLICRVRGLHLPEKHVTWRGEAIPGSLFDFALYFFHNYQALLAKGSGP
YFYLPKTQSWQEAAWWSEVFSYAEDRFNLPRGTIKATLLIETLPAVFQMD
EILHALRDHIVGLNCGRWDYIFSYIKTLKNYPDRVLPDRQAVTMDKPFLN
AYSRLLIKTCHKRGAFAMGGMAAFIPSKDEEHNNQVLNKVKADKSLEANN
GHDGTWIAHPGLADTAMAVFNDILGSRKNQLEVMREQDAPITADQLLAPC
DGERTEEGMRANIRVAVQYIEAWISGNGCVPIYGLMEDAATAEISRTSIW
QWIHHQKTLSNGKPVTKALFRQMLGEEMKVIASELGEERFSQGRFDDAAR
LMEQITTSDELIDFLTLPGYRLLA
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 chain3cv2 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cv2 Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Resolution1.4 Å
Binding residue
(original residue number in PDB)		E250 D278
Binding residue
(residue number reindexed from 1)		E241 D269
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.3.9: malate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004474 malate synthase activity
GO:0016740 transferase activity
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3cv2, PDBe:3cv2, PDBj:3cv2
PDBsum3cv2
PubMed18714089
UniProtP08997|MASY_ECOLI Malate synthase A (Gene Name=aceB)

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