MolNFT v1 · #22093 · protein
NMR structure of the THKAIA180C-ciiabd complex (25-structure ensemble)
1SV1 · Circadian clock protein kaia: “NMR structure of the THKAIA180C-ciiabd complex (25-structure ensemble)”. Solution nmr, 5 pockets (best druggability 0.62). MolNFT v1 #22093 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SV1
- Type
- protein
- Length
- 282 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Circadian clock protein kaia; Circadian clock protein kaic
- UniProt
- Q79V62, Q8RR33
- Pockets
- 5 · best druggability 0.62
Structure
solution nmr · 2 distinct chains · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Circadian clock protein kaia | protein | 107 | 75% helix, 0% strand | Q79V62 |
| C, D | Circadian clock protein kaic | protein | 34 | 12% helix, 0% strand | Q8RR33 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.62 | 0.82 | 18 | empty |
| 2 | 126 | 0.43 | 0.76 | 22 | empty |
| 3 | 134 | 0.41 | 0.74 | 21 | empty |
| 4 | 72 | 0.38 | 0.78 | 14 | empty |
| 5 | 70 | 0.36 | 0.77 | 14 | empty |
Interfaces
5 interfaces between chains.
- B–C · 984 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 984 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 758 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 748 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 745 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1SV1 · NMR structure of the ThKaiA180C-CIIABD complex (25-structure ensemble) · the same entry in another collection · chain A against A, TM-score 1.00
- Q79V62 · AlphaFold monomer V2.0 prediction for circadian clock protein kaia (Q79V62) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 Q79V62
- Every structure of UniProt Q8RR33
- Elsewhere: RCSB PDB 1SV1 · PDBe 1SV1 · UniProt Q79V62 · UniProt Q8RR33
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