Structure of PDB 8cav Chain A Binding Site BS03

Receptor Information
>8cav Chain A (length=860) Species: 2020 (Thermomonospora curvata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATPTEQELRAELTGPVTGAGRQIHARGVWLAVDDPAFHLPRQGWKIHLSA
RPATLQETIRRMLPAVLAVPCHFKVVRSGRHLQDLNSANNHPGSIGKAVT
IYPSPEDVAPLARRLAEDLAGMAGPRICSDRRVRPDAPVYYRYGPFHPCY
DINDDGDLELVVTDPQGNTHPGAADDSFWQPHWSPDPLTGATPHPAPSDG
PAAPVLLGGRYRVVRGLTRNGKGCVYRAIDTTDNRPVIIKEARAHVNEDT
LGRDSRLRLRNERYVLHLLRDLDDVPKVIDHFRHEDREYLAITDLGALAL
GQDVAENGLYVADPAPPGRSLRALATALLELLDHVHRRGVLVRDLTPTNV
VLDDATGRPRLVDFEISHAEDPQLYGWTPGYSPPEQERDEPATVEADYYS
LGATLFYAATGLPPTWMTGDPGNHDPRRAAEVLAGRGGMSGTILGLLDPD
PARRRAAADDIRAGRFTDAPPPPPPSARQRARRLAAAIAHSLTELSRHAA
DLMSGKDFTGGLVGSPINLYRGAAGMGMELLRHDEPSRALARGLAYWTGG
FRALRNGRPGLYTGDTGIAVFIAEAGATLGDETLLKIAEPLARPVLSRIT
ATDQHTGLAGIGTGQLLLWRLTKDAGRLELADACARRLLARDLTAELQEN
PPDYADCGAVSRTLGFAHGLAGIVHFLRDHHAATGETATEAALHKGCDTL
LEHLPPLLEAARAVSAKPMHASFCQGLAGIGAALARTGRDLGADDHLQAA
REAAAACLELAPRMYALTQCCGLAGIGELFLDLCQITGDRTYAQWADRIA
DLILARAGGSPEAPVFPDTSLHGSSGGWSIGTSGVVSFLRRLGDPAAPRL
WLDPPAGTAR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8cav Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cav Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		N354 D368
Binding residue
(residue number reindexed from 1)		N349 D363
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0031179 peptide modification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8cav, PDBe:8cav, PDBj:8cav
PDBsum8cav
PubMed37014271
UniProtD1A2F7

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