Structure of PDB 1rhc Chain A Binding Site BS02

Receptor Information
>1rhc Chain A (length=330) Species: 2200 (Methanoculleus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTQIGYFASLEQYRPMDALEQAIRAEKVGFDSVWVDDHFHPWYHDNAQS
AQAWAWMGAALQATKKVFISTCITCPIMRYNPAIVAQTFATLRQMYPGRV
GVAVGAGEAMNEVPVTGEWPSVPVRQDMTVEAVKVMRMLWESDKPVTFKG
DYFTLDKAFLYTKPDDEVPLYFSGMGPKGAKLAGMYGDHLMTVAAAPSTL
KNVTIPKFEEGAREAGKDPSKMEHAMLIWYSVDPDYDKAVEALRFWAGCL
VPSMFKYKVYDPKEVQLHANLVHCDTIKENYMCATDAEEMIKEIERFKEA
GINHFCLGNSSPDVNFGIDIFKEVIPAVRD
Ligand information
Ligand IDACN
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)=O
ACDLabs 11.02O=C(C)C
OpenEye OEToolkits 1.7.0CC(=O)C
FormulaC3 H6 O
NameACETONE
ChEMBLCHEMBL14253
DrugBank
ZINCZINC000000895111
PDB chain1rhc Chain A Residue 352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rhc Coenzyme binding in f(420)-dependent secondary alcohol dehydrogenase, a member of the bacterial luciferase family.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H39 W43 E108
Binding residue
(residue number reindexed from 1)		H39 W43 E108
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H39 W43 E108
Catalytic site (residue number reindexed from 1) H39 W43 E108
Enzyme Commision number 1.1.99.-
Gene Ontology
Molecular Function
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen

View graph for
Molecular Function
External links
PDB RCSB:1rhc, PDBe:1rhc, PDBj:1rhc
PDBsum1rhc
PubMed15016352
UniProtO93734

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