Research workbench
Crystal structure of STK17B (DRAK2) in complex with PKIS43
Analyse Crystal structure of STK17B (DRAK2) in complex with PKIS43 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Y6F
- Type
- protein
- Length
- 284 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
- OD2
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 17B (EC 2.7.11.1) | protein | 284 | 37% helix, 18% strand | O94768 |
Ligands and binding sites
- OD2 · 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid · ligand · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · 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 | 113 | 0.66 | 0.89 | 23 | OD2, EDO |
| 2 | 286 | 0.55 | 0.76 | 28 | EDO |
| 3 | 96 | 0.43 | 0.79 | 23 | empty |
Compared structures
- 6Y6F · Crystal structure of STK17B (DRAK2) in complex with PKIS43 · 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 0.96
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 6Y6F · PDBe 6Y6F · UniProt O94768
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