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Crystal structure of cyanobacterial circadian clock protein kaic

Analyse Crystal structure of cyanobacterial circadian clock protein kaic in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DYK
Type
protein
Length
916 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Circadian clock protein kinase kaic
EC
2.7.11.1
UniProt
Q79PF4
Ligands
ATP, MG
Pockets
15 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACircadian clock protein kinase kaic (EC 2.7.11.1)protein45732% helix, 27% strandQ79PF4
BCircadian clock protein kinase kaic (EC 2.7.11.1)protein45931% helix, 26% strandQ79PF4

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains A, B
  • MG · Magnesium ion · metal · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14110.750.8560ATP, MG
26090.730.8175empty
31550.720.9130ATP, MG
41860.680.8623empty
51400.660.8723empty

Interfaces

1 interface between chains.

  • A–B · 2538 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 7DYK · Crystal Structure of Cyanobacterial Circadian Clock Protein KaiC · the same entry in another collection · chain A against A, TM-score 1.00

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