MolNFT v1 · #187234 · protein
Extended conformation of nighttime state kaic
7S66 · Circadian clock protein kinase kaic: “Extended conformation of nighttime state kaic”. Electron microscopy, 2 ligands (ATP, MG), 20 pockets (best druggability 0.84). MolNFT v1 #187234 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7S66
- Type
- protein
- Length
- 2,910 residues
- Chains
- 6
- Method
- electron microscopy
- 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
- 20 · best druggability 0.84
Structure
electron microscopy · 1 distinct chain · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Circadian clock protein kinase kaic (EC 2.7.11.1) | protein | 485 | 32% helix, 27% strand | Q79PF4 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 12 copies · chains A, B, C, D, E, F
- MG · Magnesium ion · metal · 12 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.84 | 0.85 | 117 | ATP, MG |
| 2 | 849 | 0.84 | 0.86 | 116 | empty |
| 3 | 313 | 0.83 | 0.93 | 40 | ATP, MG |
| 4 | 327 | 0.82 | 0.92 | 44 | ATP, MG |
| 5 | 325 | 0.82 | 0.92 | 41 | ATP, MG |
Interfaces
6 interfaces between chains.
- A–B · 3412 Ų buried · 43 hydrogen bonds · protein-protein
- B–C · 3405 Ų buried · 43 hydrogen bonds · protein-protein
- E–F · 3404 Ų buried · 43 hydrogen bonds · protein-protein
- A–F · 3399 Ų buried · 43 hydrogen bonds · protein-protein
- D–E · 3396 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 7S66 · Extended conformation of nighttime state KaiC · the same entry in another collection · chain A against A, TM-score 1.00
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 Q79PF4
- Elsewhere: RCSB PDB 7S66 · PDBe 7S66 · UniProt Q79PF4
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