Research workbench
Structure of human BUB1 kinase domain phosphorylated at SER969
Analyse Structure of human BUB1 kinase domain phosphorylated at SER969 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DMZ
- Type
- protein
- Length
- 680 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1
- EC
- 2.7.11.1
- UniProt
- O43683
- Ligands
- ADP, MG
- Pockets
- 9 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 340 | 39% helix, 19% strand | O43683 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.67 | 0.84 | 39 | ADP, MG |
| 2 | 268 | 0.64 | 0.81 | 38 | ADP, MG |
| 3 | 419 | 0.60 | 0.76 | 52 | empty |
| 4 | 201 | 0.48 | 0.75 | 28 | empty |
| 5 | 187 | 0.47 | 0.75 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 582 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5DMZ · Structure of human Bub1 kinase domain phosphorylated at Ser969 · the same entry in another collection · chain A against A, 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 0.99
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
- Elsewhere: RCSB PDB 5DMZ · PDBe 5DMZ · UniProt O43683
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