Structure of PDB 7ejh Chain B Binding Site BS02

Receptor Information
>7ejh Chain B (length=251) Species: 33962 (Lentilactobacillus kefiri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDRLKGKVAIVTGGTLGIGLAIADKFVEEGAKVVITGRHADVGEKAAKSI
GGTDVIRFVQHDASDEAGWTKLFDTTEEAFGPVTTVVNNAGIAVSKSVED
TTTEEWRKLLSVNLDGVFFGTRLGIQRMKNKGLGASIINMSSIEGLVGDP
TQGAYNASKGAVRIMSKSAALDCALKDYDVRVNTVHPGPIKTPLVDDAEG
AEEFFSQRTKTPMGHIGEPNDIAWICVYLASDESKFATGAEFVVDGGYTA
Q
Ligand information
Ligand IDJ66
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
InChIKeyCFMZSMGAMPBRBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)N(C2=O)O
CACTVS 3.385ON1C(=O)c2ccccc2C1=O
FormulaC8 H5 N O3
Name2-oxidanylisoindole-1,3-dione
ChEMBLCHEMBL276057
DrugBank
ZINCZINC000000098179
PDB chain7ejh Chain B Residue 302 [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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PDB7ejh Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Resolution1.72884 Å
Binding residue
(original residue number in PDB)		S143 I144 E145 Y156 P190 V196 F206
Binding residue
(residue number reindexed from 1)		S142 I143 E144 Y155 P189 V195 F205
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:7ejh, PDBe:7ejh, PDBj:7ejh
PDBsum7ejh
PubMed
UniProtQ6WVP7|RADH_LENKE NADP-dependent (R)-specific alcohol dehydrogenase (Gene Name=adh)

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