Research workbench
The crystal structure of the human BUB1 tpr domain in complex with the ki motif of KNL1
Analyse The crystal structure of the human BUB1 tpr domain in complex with the ki motif… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A1G
- Type
- protein
- Length
- 650 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1; Protein CASC5
- EC
- 2.7.11.1
- UniProt
- O43683, Q8NG31
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 6 distinct chains · 70% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 146 | 69% helix, 2% strand | O43683 |
| B, C | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 149 | 75% helix, 2% strand | O43683 |
| D | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 148 | 72% helix, 2% strand | O43683 |
| E | Protein CASC5 | protein | 12 | 58% helix, 8% strand | Q8NG31 |
| F, G | Protein CASC5 | protein | 15 | 53% helix, 7% strand | Q8NG31 |
| H | Protein CASC5 | protein | 16 | 44% helix, 6% strand | Q8NG31 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 949 | 0.87 | 0.88 | 110 | empty |
| 2 | 75 | 0.57 | 0.88 | 18 | empty |
| 3 | 56 | 0.54 | 0.88 | 13 | empty |
| 4 | 54 | 0.50 | 0.86 | 14 | empty |
| 5 | 52 | 0.47 | 0.85 | 15 | empty |
Interfaces
11 interfaces between chains.
- C–D · 1253 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1221 Ų buried · 13 hydrogen bonds · protein-protein
- C–G · 654 Ų buried · 9 hydrogen bonds · protein-protein
- B–F · 647 Ų buried · 8 hydrogen bonds · protein-protein
- D–H · 558 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4A1G · The crystal structure of the human Bub1 TPR domain in complex with the KI motif of Knl1 · the same entry in another collection · chain H against H, TM-score 1.00
- O43683 · 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 0.97
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 O43683
- Every structure of UniProt Q8NG31
- Elsewhere: RCSB PDB 4A1G · PDBe 4A1G · UniProt O43683 · UniProt Q8NG31
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