Research workbench
The STK17A (DRAK1) kinase domain bound to CKJB68
Analyse The STK17A (DRAK1) kinase domain bound to CKJB68 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7QUE
- Type
- protein
- Length
- 505 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 17A
- EC
- 2.7.11.1
- UniProt
- Q9UEE5
- Ligands
- F7I
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 17A (EC 2.7.11.1) | protein | 266 | 39% helix, 20% strand | Q9UEE5 |
| B | SERINE/THREONINE-protein kinase 17A (EC 2.7.11.1) | protein | 239 | 41% helix, 15% strand | Q9UEE5 |
Ligands and binding sites
- F7I · ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 757 | 0.71 | 0.77 | 67 | F7I |
| 2 | 397 | 0.65 | 0.79 | 38 | F7I |
| 3 | 194 | 0.43 | 0.73 | 29 | empty |
| 4 | 86 | 0.34 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 455 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 Q9UEE5
- Elsewhere: RCSB PDB 7QUE · PDBe 7QUE · UniProt Q9UEE5
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