MolNFT v1 · #105570 · protein
Structure and substrate recruitment of the human spindle checkpoint kinase BUB1
4R8Q · Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1: “Structure and substrate recruitment of the human spindle checkpoint kinase BUB1”. X-ray diffraction, 2 ligands (ADP, MG), 5 pockets (best druggability 0.72). MolNFT v1…
- PDB
- 4R8Q
- Type
- protein
- Length
- 332 residues
- Chains
- 1
- 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
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitotic checkpoint SERINE/THREONINE-protein kinase BUB1 (EC 2.7.11.1) | protein | 332 | 39% helix, 20% strand | O43683 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.72 | 0.85 | 44 | ADP, MG |
| 2 | 114 | 0.54 | 0.83 | 20 | empty |
| 3 | 191 | 0.48 | 0.76 | 26 | empty |
| 4 | 98 | 0.36 | 0.74 | 18 | empty |
| 5 | 50 | 0.36 | 0.79 | 14 | empty |
Compared structures
- 4R8Q · Structure and substrate recruitment of the human spindle checkpoint kinase bub1 · 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 A against A, TM-score 0.98
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 4R8Q · PDBe 4R8Q · UniProt O43683
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.