Structure of PDB 7ejj Chain D Binding Site BS01

Receptor Information
>7ejj Chain D (length=250) Species: 33962 (Lentilactobacillus kefiri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRLKGKVAIVTGGTLGIGLAIADKFVEEGAKVVITGRHADVGEKAAKSIG
GTDVIRFVQHDASDEAGWTKLFDTTEEAFGPVTTVVNNAGIAVSKSVEDT
TTEEWRKLLSVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGLVGDPT
QGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGPIKTPLVDDLEGA
EEMMSQRTKTPMGHIGEPNDIAWICVYLASDESKFATGAEFVVDGGYTAQ
Ligand information
Ligand IDJ69
InChIInChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKeyVVQNEPGJFQJSBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)C(C)=C
OpenEye OEToolkits 2.0.7CC(=C)C(=O)OC
FormulaC5 H8 O2
Namemethyl 2-methylprop-2-enoate;
methyl methacrylate
ChEMBLCHEMBL49996
DrugBank
ZINCZINC000001680392
PDB chain7ejj Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ejj Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Resolution1.80001 Å
Binding residue
(original residue number in PDB)		S143 E145 Y156
Binding residue
(residue number reindexed from 1)		S141 E143 Y154
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7ejj, PDBe:7ejj, PDBj:7ejj
PDBsum7ejj
PubMed
UniProtQ6WVP7|RADH_LENKE NADP-dependent (R)-specific alcohol dehydrogenase (Gene Name=adh)

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