Structure of PDB 6j5x Chain B Binding Site BS02

Receptor Information
>6j5x Chain B (length=280) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLATIRTNGTTIAARVESENTATTIEGFANVGELLQESNWRELAENAAG
EAVTFENKELDAVVPAPKKIVCVGLNYANHIKEMGRDLPDTPTLFVKFPD
ALIGPFDDVVVPEWANKALDWEGEMAVIIGKRARRVKQADAAEYIAGYAV
MNDYTTRDFQYAAPAKTPQWHQGKSLEKSAGFGPWMTTPDSFEFGGELAT
YLEGEKVQSTPTNDLVFSPEKLIEYITHIYPLDAGDVIVTGTPGGVGHAR
NPQRYIGDGETVKVEIAGLGFIENKTVFEL
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 chain6j5x Chain B Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6j5x Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		V73 G74 H80 F95 E122 W170 K174 G241 T242
Binding residue
(residue number reindexed from 1)		V73 G74 H80 F95 E122 W170 K174 G241 T242
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.1.-
5.3.3.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0018773 acetylpyruvate hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6j5x, PDBe:6j5x, PDBj:6j5x
PDBsum6j5x
PubMed31657110
UniProtQ8NLC0

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