Research workbench
Kinetochore-BUBR1 kinase complex
Analyse Kinetochore-BUBR1 kinase complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SI5
- Type
- protein
- Length
- 332 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 beta; Protein CASC5
- EC
- 2.7.11.1
- UniProt
- O60566, Q8NG31
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 4 distinct chains · 71% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 beta (EC 2.7.11.1) | protein | 152 | 73% helix, 2% strand | O60566 |
| B | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 beta (EC 2.7.11.1) | protein | 149 | 72% helix, 2% strand | O60566 |
| X | Protein CASC5 | protein | 18 | 56% helix, 6% strand | Q8NG31 |
| Y | Protein CASC5 | protein | 13 | 69% helix, 8% strand | Q8NG31 |
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 | 146 | 0.45 | 0.77 | 18 | empty |
| 2 | 67 | 0.32 | 0.75 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–X · 632 Ų buried · 3 hydrogen bonds · protein-protein
- B–Y · 485 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 475 Ų buried · 9 hydrogen bonds · protein-protein
- B–X · 100 Ų buried · 3 hydrogen bonds · protein-protein
- X–Y · 53 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3SI5 · Kinetochore-BUBR1 kinase complex · the same entry in another collection · chain Y against Y, TM-score 1.00
- O60566 · AlphaFold monomer V2.0 prediction for mitotic checkpoint SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q8NG31 · AlphaFold monomer V2.0 prediction for kinetochore scaffold 1 (Q8NG31) · a predicted model of the same protein · chain Y against A, TM-score 0.67
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 O60566
- Every structure of UniProt Q8NG31
- Elsewhere: RCSB PDB 3SI5 · PDBe 3SI5 · UniProt O60566 · UniProt Q8NG31
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