MolNFT v1 · #32574 · protein
Crystal structure of the human serine-threonine kinase 16 in complex with staurosporine
2BUJ · SERINE/THREONINE-protein kinase 16: “Crystal structure of the human serine-threonine kinase 16 in complex with staurosporine”. X-ray diffraction, 2 ligands (STU, CL), 8 pockets (best druggability 0.61). MolNFT v1 #32574 on…
- PDB
- 2BUJ
- Type
- protein
- Length
- 577 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 16
- EC
- 2.7.1.37
- UniProt
- O75716
- Ligands
- STU, CL
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 16 (EC 2.7.1.37) | protein | 291 | 40% helix, 24% strand | O75716 |
| B | SERINE/THREONINE-protein kinase 16 (EC 2.7.1.37) | protein | 286 | 41% helix, 23% strand | O75716 |
Ligands and binding sites
- STU · Staurosporine · ligand · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.61 | 0.77 | 37 | STU |
| 2 | 201 | 0.52 | 0.77 | 25 | STU |
| 3 | 93 | 0.44 | 0.79 | 17 | empty |
| 4 | 102 | 0.38 | 0.75 | 16 | CL |
| 5 | 68 | 0.36 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1166 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 2BUJ · Crystal structure of the human Serine-threonine Kinase 16 in complex with staurosporine · the same entry in another collection · chain A against A, TM-score 1.00
- O75716 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 16 (O75716) · 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 O75716
- Elsewhere: RCSB PDB 2BUJ · PDBe 2BUJ · UniProt O75716
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