Structure of PDB 3oyz Chain A Binding Site BS02

Receptor Information
>3oyz Chain A (length=376) 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
GIWSLTPGQVVEANTSPLPPKTGSWLLDADELREELLGLTSYVPSMDDIV
DSMEEFEAAKEAGRGAIAMTQSATIEKDRMWDEATYQAAMTPISLFQDVY
ENRPDQHEELEERYGAGVVERAMEVG
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 chain3oyz Chain A Residue 435 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oyz Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E158 G189 V191 D192 P231 W257
Binding residue
(residue number reindexed from 1)		E154 G185 V187 D188 P227 W253
Annotation score1
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:3oyz, PDBe:3oyz, PDBj:3oyz
PDBsum3oyz
PubMed21569248
UniProtD4GTL2|ACEB_HALVD Malate synthase (Gene Name=aceB)

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