Structure of PDB 6jvw Chain B Binding Site BS01

Receptor Information
>6jvw Chain B (length=264) Species: 627192 (Sphingobium sp. SYK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLARFDGGRLGVVIGDEIADITALTGADPAQWPDMNMIRLIRDFEGLRG
AIEAALPGLARIPLAQVSLETPVPWPNKIIAYPVNYHAHGNQGFFLKPGS
ALSGPTDPVVLPAVPGREVHHESELAIIIGKTCRSVAREDWKDVVFGYAC
LLDMVVRGRVFRKAYDTFCPVGPWITTADAVNDPATLDMKLWVNDDLRQK
ANTRDLVLDIPGMIATASAVMTLQPGDIIATGTPEGVGPVVDGDRIRIVI
DQVGEMAVDVVQGQ
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 chain6jvw Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jvw Structural insights into a maleylpyruvate hydrolase from sphingobium sp. SYK-6, a bacterium degrading lignin-derived aryls.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		V84 F105 E132 K176
Binding residue
(residue number reindexed from 1)		V84 F95 E122 K163
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0018773 acetylpyruvate hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6jvw, PDBe:6jvw, PDBj:6jvw
PDBsum6jvw
PubMed31079929
UniProtG2IPX5

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