Structure of PDB 2v6k Chain A Binding Site BS02

Receptor Information
>2v6k Chain A (length=214) Species: 70356 (Ralstonia sp. U2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKMKLYNFWRSGTSHRLRIALNLKGVPYEYLAVHLGKEEHLKDAFKALNP
QQLVPALDTGAQVLIQSPAIIEWLEEQYPTPALLPADADGRQRVRALAAI
VGCDIHPINNRRILEYLRKTFGADEAAINAWCGTWISAGFDAYEALLAVD
PKRGRYSFGDTPTLADCYLVPQVESARRFQVDLTPYPLIRAVDAACGELD
AFRRAAPAAQPDSA
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain2v6k Chain A Residue 1215 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2v6k Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		R109 E113
Binding residue
(residue number reindexed from 1)		R111 E115
Annotation score1
Enzymatic activity
Enzyme Commision number 5.2.1.4: maleylpyruvate isomerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004364 glutathione transferase activity
GO:0016034 maleylacetoacetate isomerase activity
GO:0016853 isomerase activity
GO:0050077 maleylpyruvate isomerase activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0006749 glutathione metabolic process
GO:0009056 catabolic process
GO:0009072 aromatic amino acid metabolic process
GO:1901170 naphthalene catabolic process
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:2v6k, PDBe:2v6k, PDBj:2v6k
PDBsum2v6k
PubMed18824004
UniProtO86043|NAGL_RALSP Maleylpyruvate isomerase (Gene Name=nagL)

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