MolNFT v1 · #161455 · protein
X-ray structure of human SERINE/THREONINE kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking
6QF4 · SERINE/THREONINE-protein kinase 17B: “X-ray structure of human SERINE/THREONINE kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by…”. X-ray diffraction, 3 ligands (ADP, MG, CL), 3 pockets (best druggability 0.65). MolNFT…
- PDB
- 6QF4
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 17B
- EC
- 2.7.11.1
- UniProt
- O94768
- Ligands
- ADP, MG, CL
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 17B (EC 2.7.11.1) | protein | 287 | 37% helix, 19% strand | O94768 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 465 | 0.65 | 0.77 | 40 | MG, EDO, ADP |
| 2 | 96 | 0.61 | 0.88 | 22 | empty |
| 3 | 55 | 0.32 | 0.77 | 13 | empty |
Compared structures
- 6QF4 · X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- O94768 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 17B (O94768) · 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 O94768
- Elsewhere: RCSB PDB 6QF4 · PDBe 6QF4 · UniProt O94768
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