Structure of PDB 7v3x Chain M Binding Site BS03
Receptor Information
>7v3x Chain M (length=463) Species:
1140
(Synechococcus elongatus PCC 7942 = FACHB-805) [
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AIAKMRTMIEGFDDISHGGLPIGRSTLVSGTSGTGKTLFSIQFLYNGIIE
FDEPGVFVTFEETPQDIIKNARSFGWDLAKLVDEGKLFILDASPDLSALI
ERINYAIQKYRARRVSIDSVTSVFVVRRELFRLVARLKQIGATTVMTTER
IEEYGPIARYGVEEFVSDNVVILRNVLEGERRRRTLEILKLRGTSHMKGE
YPFTITDHGINIFPLGAMRLTQRSSNVRVSSGVVRLDEMCGGGFFKDSII
LATGATGTGKTLLVSRFVENACANKERAILFAYEESRAQLLRNAYSWGMD
FEEMERQNLLKIVCAYPESAGLEDHLQIIKSEINDFKPARIAIDSLSALA
RGVSNNAFRQFVIGVTGYAKQEEITGLFTNTSDQFMGAHSITDSHISTIT
DTIILLQYVEIRGEMSRAINVFKMRGSWHDKAIREFMISDKGPDIKDSFR
NFERIISGSPTRI
Ligand information
Ligand ID
ATP
InChI
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
7v3x Chain M Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
7v3x
Elucidation of master allostery essential for circadian clock oscillation in cyanobacteria.
Resolution
3.1 Å
Binding residue
(original residue number in PDB)
T290 G291 G293 K294 T295 L296 S330 W331 R451
Binding residue
(residue number reindexed from 1)
T256 G257 G259 K260 T261 L262 S296 W297 R417
Annotation score
5
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: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:0009649
entrainment of circadian clock
GO:0016310
phosphorylation
GO:0042752
regulation of circadian rhythm
GO:0042754
negative regulation of circadian rhythm
GO:0048511
rhythmic process
GO:0070297
regulation of phosphorelay signal transduction system
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:7v3x
,
PDBe:7v3x
,
PDBj:7v3x
PDBsum
7v3x
PubMed
35427168
UniProt
Q79PF4
|KAIC_SYNE7 Circadian clock oscillator protein KaiC (Gene Name=kaiC)
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