Structure of PDB 3oyx Chain A Binding Site BS01

Receptor Information
>3oyx Chain A (length=348) Species: 309800 (Haloferax volcanii DS2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHDREFVRTFFTSPTAVEGEDDSAKMLRRAAGLRGMQAPDVWVPDNEDAT
APSMRDEGAENIVEVISEQGAEFPGEIHPRMVWHRDSPETRYQGFQHMLD
ITDPERGAVEHIHGFVIPEVGGIDDWKKADEFFTIVEHEHGLDEGSLAMS
VIIESGEAELAMGDLRDEMGKPTNNLERLFLLVDGEVDYTKDMRAMTPTG
ELPAWPELRHNTSRGASAAGCVAVDGPYDDIRDVEGYRERMTDNQAKGML
GIWSLTPGQVVEANTSPLPPKTGSWLLDAEELLGLTSYVPSMDDIVDSME
EFWDEATYQAAMTPISLFQDVYENRPDQHEELEERYGAGVVERAMEVG
Ligand information
Ligand IDGLV
InChIInChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
InChIKeyHHLFWLYXYJOTON-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)C(=O)O
ACDLabs 10.04O=CC(=O)O
CACTVS 3.341OC(=O)C=O
FormulaC2 H2 O3
NameGLYOXYLIC ACID;
GLYOXALATE;
GLYOXYLATE
ChEMBLCHEMBL1162545
DrugBankDB04343
ZINCZINC000004658554
PDB chain3oyx Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oyx Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		R84 E158 G189 V191 D192 P231 W257
Binding residue
(residue number reindexed from 1)		R80 E154 G185 V187 D188 P227 W253
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.3.9: malate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004474 malate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0006107 oxaloacetate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3oyx, PDBe:3oyx, PDBj:3oyx
PDBsum3oyx
PubMed21569248
UniProtD4GTL2|ACEB_HALVD Malate synthase (Gene Name=aceB)

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