Structure of PDB 8sut Chain A Binding Site BS01

Receptor Information
>8sut Chain A (length=303) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKFATGELYNRMFVGLIIDDEKIMDLQKAEKKLFELETIPGSLIECIAE
GDKFVAHARQLAEWAKKPNDELGSFMYSLSEVKLHAPIPKPSKNIICIGK
NYRDHAIEMGSEADIPEHPMVFTKSPVTVTGHGDIVKSHEEVTSQLDYEG
ELAVVIGKSGTRISKEDAYDHVFGYTIVNDITARDLQKRHKQFFIGKSLD
TTCPMGPVLVHKSSIQEPERLKVETRVNGELRQSGSASDMIFSIPELIET
LSKGMTLEAGDIIATGTPSGVGKGFTPPKFLRSGDKIDITIDPIGTLSNQ
IGL
Ligand information
Ligand IDIO9
InChIInChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1
InChIKeyWXSKVKPSMAHCSG-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[C@H](CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(=O)O)O)C(=O)C(=O)O
CACTVS 3.385O[CH](CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C([C@H](C(=O)O)O)C(=O)C(=O)O
FormulaC5 H6 O6
Name(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid
ChEMBL
DrugBank
ZINCZINC000001532865
PDB chain8sut Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sut Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization
Resolution1.93 Å
Binding residue
(original residue number in PDB)		I97 G98 K99 H104 F121 E148 R183 Q186 K196 G265 T266
Binding residue
(residue number reindexed from 1)		I98 G99 K100 H105 F122 E149 R184 Q187 K197 G266 T267
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008948 oxaloacetate decarboxylase activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0018773 acetylpyruvate hydrolase activity
GO:0046872 metal ion binding
GO:0050163 oxaloacetate tautomerase activity
Biological Process
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:8sut, PDBe:8sut, PDBj:8sut
PDBsum8sut
PubMed38047707
UniProtO06724|YISK_BACSU Oxaloacetate tautomerase YisK (Gene Name=yisK)

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