Structure of PDB 6s31 Chain A Binding Site BS01

Receptor Information
>6s31 Chain A (length=379) Species: 130081 (Galdieria sulphuraria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKLLEPFDLNGLELANRMVMAPLTRNRAGPRFVPTKMNALYYAQRSGLG
LIITEATQISQQGMGYPDTPGIYTDEQVDGWRMVTEAVHRREGCIFLQLW
HVGRVSHSSFQPNGQLPVAPSAIAPEGEVMTYDGIKPFETPRALETEEVA
HIVEDYRKAAINAKRAGFDGIEIHSANGYLLHEFLEDGTNKRTDRYGGSI
ENRARIVFEVLDAVCKVYPSRRVGIRLSPDTEFMSMSDSDRPALYSYLVQ
ELSRRELAYLHLIEPRIKGNVDVEKESSLNVEFFRPLYKGVLITAGGYQK
ETGEERLQKQHADLVAYGRWVIANPDLPSRFEQNAPLNPYDRATFYGGNE
KGYTDYPFLDPRDSQEALKEAEAAERKWR
Ligand information
Ligand IDHBA
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O
CACTVS 3.341Oc1ccc(C=O)cc1
ACDLabs 10.04O=Cc1ccc(O)cc1
FormulaC7 H6 O2
NameP-HYDROXYBENZALDEHYDE
ChEMBLCHEMBL14193
DrugBankDB03560
ZINCZINC000000156709
PDB chain6s31 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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PDB6s31 Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		N27 Y346 G347
Binding residue
(residue number reindexed from 1)		N27 Y346 G347
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T25 H174 N177 Y179 R226 M234
Catalytic site (residue number reindexed from 1) T25 H174 N177 Y179 R226 M234
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:6s31, PDBe:6s31, PDBj:6s31
PDBsum6s31
PubMed31930452
UniProtM2XAQ9

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