Structure of PDB 4o0m Chain A Binding Site BS03

Receptor Information
>4o0m Chain A (length=494) Species: 197221 (Thermosynechococcus vestitus BP-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTEQSSAEVKKIPTMIEGFDDISHGGLPQGRTTLVSGTSGTGKTLFAVQF
LYNGITIFNEPGIFVTFEESPQDIIKNALSFGWNLQSLIDQGKLFILDAS
PDPDGQEVAGDFDLSALIERIQYAIRKYKATRVSIDSVTAVFQQYDAASV
VRREIFRLAFRLKQLGVTTIMTTERVDEYGPVARFGVEEFVSDNVVILRN
VLEGERRRRTVEILKLRGTTHMKGEYPFTINNGINIFPLGAMRLTQRSSN
VRVSSGVKTLDEMCGGGFFKDSIILATGATGTGKTLLVSKFLETGCQQGE
RALLFAYEESRAQLSRNASSWGIDFEELERRGLLRIICAYPESAGLEDHL
QIIKSEIADFKPSRVAIDSLSALARGVSNNAFRQFVIGVTGFAKQEEITG
FFTNTTDQFMGSNSITESHISTITDTILLLQYVEIRGEMSRAINVFKMRG
SWHDKGIREYVITEKGAEIRDSFRNFEGIISGTPTRISVDEKTE
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 chain4o0m Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4o0m An arginine tetrad as mediator of input-dependent and input-independent ATPases in the clock protein KaiC
Resolution2.84 Å
Binding residue
(original residue number in PDB)		T54 E79
Binding residue
(residue number reindexed from 1)		T44 E69
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
3.6.4.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003677 DNA binding
GO:0004674 protein serine/threonine kinase activity
GO:0004712 protein serine/threonine/tyrosine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0044024 histone H2AS1 kinase activity
GO:0046872 metal ion binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0007623 circadian rhythm
GO:0016310 phosphorylation
GO:0042752 regulation of circadian rhythm
GO:0046777 protein autophosphorylation
GO:0048511 rhythmic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4o0m, PDBe:4o0m, PDBj:4o0m
PDBsum4o0m
PubMed24816106
UniProtQ79V60|KAIC_THEVB Circadian clock oscillator protein KaiC (Gene Name=kaiC)

[Back to BioLiP]