Structure of PDB 3cuz Chain A Binding Site BS01

Receptor Information
>3cuz Chain A (length=529) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTTDELAFTRPYGEQEKQILTAEAVEFLTELVTHFTPQRNKLLAARIQQ
QQDIDNGTLPDFISETASIRDADWKIRGIPADLEDRRVEITGPVERKMVI
NALNANVKVFMADFEDSLAPDWNKVIDGQINLRDAVNGTISYTNEAGKIY
QLKPNPAVLICRVRGLHLPEKHVTWRGEAIPGSLFDFALYFFHNYQALLA
KGSGPYFYLPKTQSWQEAAWWSEVFSYAEDRFNLPRGTIKATLLIETLPA
VFQMDEILHALRDHIVGLNCGRWDYIFSYIKTLKNYPDRVLPDRQAVTMD
KPFLNAYSRLLIKTCHKRGAFAMGGMAAFIPSKDEEHNNQVLNKVKADKS
LEANNGHDGTWIAHPGLADTAMAVFNDILGSRKNQLEVMREQDAPITADQ
LLAPCDGERTEEGMRANIRVAVQYIEAWISGNGCVPIYGLMEDAATAEIS
RTSIWQWIHHQKTLSNGKPVTKALFRQMLGEEMKVIASELGEERFSQGRF
DDAARLMEQITTSDELIDFLTLPGYRLLA
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 chain3cuz Chain A Residue 1 [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]
PDB3cuz Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Resolution1.04 Å
Binding residue
(original residue number in PDB)		E250 D278
Binding residue
(residue number reindexed from 1)		E246 D274
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3cuz, PDBe:3cuz, PDBj:3cuz
PDBsum3cuz
PubMed18714089
UniProtP08997|MASY_ECOLI Malate synthase A (Gene Name=aceB)

[Back to BioLiP]