MolNFT v1 · #97897 · protein
Crystal structure of circadian clock protein kaib from S.ELONGATUS
4KSO: “Crystal structure of circadian clock protein kaib from S.ELONGATUS”. X-ray diffraction, 4 pockets (best druggability 0.60). MolNFT v1 #97897 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4KSO
- Type
- protein
- Length
- 401 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Circadian clock protein kaib
- UniProt
- Q79PF5
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D, B | Circadian clock protein kaib | protein | 102 | 31% helix, 23% strand | Q79PF5 |
| A | Circadian clock protein kaib | protein | 95 | 36% helix, 18% strand | Q79PF5 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.60 | 0.80 | 36 | empty |
| 2 | 236 | 0.54 | 0.77 | 28 | empty |
| 3 | 80 | 0.38 | 0.77 | 22 | empty |
| 4 | 86 | 0.35 | 0.75 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–B · 806 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 783 Ų buried · 4 hydrogen bonds · protein-protein
- C–B · 753 Ų buried · 2 hydrogen bonds · protein-protein
- D–A · 649 Ų buried · 3 hydrogen bonds · protein-protein
- C–A · 549 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4KSO · Crystal Structure of Circadian clock protein KaiB from S.Elongatus · the same entry in another collection · chain C against C, TM-score 1.00
- Q79PF5 · AlphaFold monomer V2.0 prediction for circadian clock protein kaib (Q79PF5) · a predicted model of the same protein · chain A against A, TM-score 0.46
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 Q79PF5
- Elsewhere: RCSB PDB 4KSO · PDBe 4KSO · UniProt Q79PF5
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