Structure of PDB 5oji Chain B Binding Site BS02

Receptor Information
>5oji Chain B (length=260) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPSNCRRFEGKVAIVTAATKGIGLAIAERLLDEGASVVIGSRNQKNVDEA
IEYLKNKGLTKVAGIAGHIASTDDQKKLVDFTLQKFGKINILVNNHGINP
AFGHILEVSDQVWDKLFEVNVKAGFQMTKLVHPHIAKEGGGAIIFNASYS
AYKSPPGIAAYGVTKTTLVGLTRALAMGLAKDNIRVNGIAPGVIKTKMSQ
VLWDGGEDAEKELTDIQEIALGRLGVPDDCAGTVAYLASDDSSYITGEMI
IIAGGVQARL
Ligand information
Ligand IDISN
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1Nc2ccccc2C1=O
ACDLabs 10.04O=C2c1ccccc1NC2=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)C(=O)N2
FormulaC8 H5 N O2
NameISATIN
ChEMBLCHEMBL326294
DrugBankDB02095
ZINCZINC000002047514
PDB chain5oji 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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PDB5oji Crystal structure and catalytic characterization of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S148 Y149 I158 Y161 G192 M198 S199
Binding residue
(residue number reindexed from 1)		S148 Y149 I158 Y161 G192 M198 S199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G21 S148 Y161 K165
Catalytic site (residue number reindexed from 1) G21 S148 Y161 K165
Enzyme Commision number 1.1.1.184: carbonyl reductase (NADPH).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004090 carbonyl reductase (NADPH) activity
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:5oji, PDBe:5oji, PDBj:5oji
PDBsum5oji
PubMed29151266
UniProtG5EGA6|DHRS4_CAEEL Dehydrogenase/reductase SDR family member 4 (Gene Name=dhrs-4)

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