Research workbench
Crystal structure of the conserved N-terminal domain of the mitotic checkpoint component BUB1
Analyse Crystal structure of the conserved N-terminal domain of the mitotic checkpoint… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ESL
- Type
- protein
- Length
- 397 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Checkpoint SERINE/THREONINE-protein kinase BUB1
- UniProt
- P41695
- Pockets
- 4 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Checkpoint SERINE/THREONINE-protein kinase BUB1 | protein | 195 | 77% helix, 1% strand | P41695 |
| B | Checkpoint SERINE/THREONINE-protein kinase BUB1 | protein | 202 | 71% helix, 1% strand | P41695 |
Ligands and binding sites
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.42 | 0.77 | 13 | NHE |
| 2 | 65 | 0.34 | 0.77 | 11 | empty |
| 3 | 70 | 0.30 | 0.74 | 17 | empty |
| 4 | 63 | 0.30 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1033 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3ESL · Crystal structure of the conserved N-terminal domain of the mitotic checkpoint component… · the same entry in another collection · chain A against A, TM-score 1.00
- P41695 · AlphaFold monomer V2.0 prediction for checkpoint SERINE/THREONINE- protein kinase BUB1… · a predicted model of the same protein · chain A 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 P41695
- Elsewhere: RCSB PDB 3ESL · PDBe 3ESL · UniProt P41695
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