Structure of PDB 7bo0 Chain A Binding Site BS01

Receptor Information

>7bo0 Chain A (length=381) 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
KGYTDYPFLDPRDSQEALKEAEAAERKWRRL

Ligand information

Ligand ID

U6W

InChI

InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3

InChIKey

QOTQFLOTGBBMEX-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CCC(=O)O1

Formula

C5 H6 O2

Name

5-methyl-3~{H}-furan-2-one;
alpha-angelica lactone

PDB chain

7bo0 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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Structure summary

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PDB	7bo0 Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Resolution	1.63 Å
Binding residue (original residue number in PDB)	T25 W100 H174 N177 Y179
Binding residue (residue number reindexed from 1)	T25 W100 H174 N177 Y179
Annotation score	1

Enzymatic activity

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:7bo0, PDBe:7bo0, PDBj:7bo0
PDBsum	7bo0
PubMed
UniProt	M2XAQ9

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