MolNFT v1 · #123830 · protein
Crystal structure of foldswitch-stabilized kaib in complex with the N- terminal ci domain of kaic from thermosynechococcus elongatus
5JWO · Circadian clock protein kinase kaic: “Crystal structure of foldswitch-stabilized kaib in complex with the N- terminal ci domain of kaic from…”. X-ray diffraction, 1 ligand (ADP), 2 pockets (best druggability 0.45). MolNFT v1 #123830…
- PDB
- 5JWO
- Type
- protein
- Length
- 305 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Circadian clock protein kinase kaic; Circadian clock protein kaib
- EC
- 2.7.11.1
- UniProt
- Q79V60, Q79V61
- Ligands
- ADP
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Circadian clock protein kinase kaic (EC 2.7.11.1) | protein | 217 | 35% helix, 29% strand | Q79V60 |
| B | Circadian clock protein kaib | protein | 88 | 38% helix, 28% strand | Q79V61 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.45 | 0.77 | 27 | ADP |
| 2 | 90 | 0.44 | 0.80 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1063 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 5JWO · Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain… · the same entry in another collection · chain A against A, TM-score 1.00
- Q79V60 · AlphaFold monomer V2.0 prediction for circadian clock protein kinase kaic (Q79V60) · a predicted model of the same protein · chain A against A, TM-score 0.94
- Q79V61 · AlphaFold monomer V2.0 prediction for circadian clock protein kaib (Q79V61) · a predicted model of the same protein · chain B against A, TM-score 0.84
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q79V60
- Every structure of UniProt Q79V61
- Elsewhere: RCSB PDB 5JWO · PDBe 5JWO · UniProt Q79V60 · UniProt Q79V61
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