Research workbench
NMR structure of the THKAIA180C-ciiabd complex (average minimized structure)
Analyse NMR structure of the THKAIA180C-ciiabd complex (average minimized structure) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1SUY
- 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
- 2 · best druggability 0.57
Structure
solution nmr · 2 distinct chains · 61% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Circadian clock protein kaia | protein | 107 | 78% helix, 0% strand | Q79V62 |
| C, D | Circadian clock protein kaic | protein | 34 | 9% helix, 0% strand | Q8RR33 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.57 | 0.81 | 23 | empty |
| 2 | 74 | 0.32 | 0.75 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–D · 957 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 956 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 828 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 715 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 714 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1SUY · NMR structure of the ThKaiA180C-CIIABD complex (average minimized structure) · 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 1SUY · PDBe 1SUY · UniProt Q79V62 · UniProt Q8RR33
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