MolNFT v1 · #186062 · protein
The STK17A (DRAK1) kinase domain bound to CK156
7QUF · SERINE/THREONINE-protein kinase 17A: “The STK17A (DRAK1) kinase domain bound to CK156”. X-ray diffraction, 1 ligand (F8I), 5 pockets (best druggability 0.70). MolNFT v1 #186062 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7QUF
- Type
- protein
- Length
- 519 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
- F8I
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 17A (EC 2.7.11.1) | protein | 270 | 37% helix, 20% strand | Q9UEE5 |
| B | SERINE/THREONINE-protein kinase 17A (EC 2.7.11.1) | protein | 249 | 41% helix, 14% strand | Q9UEE5 |
Ligands and binding sites
- F8I · ~{N}-~{tert}-butyl-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
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.70 | 0.81 | 53 | F8I |
| 2 | 321 | 0.64 | 0.80 | 36 | F8I |
| 3 | 421 | 0.61 | 0.76 | 42 | empty |
| 4 | 143 | 0.37 | 0.72 | 22 | empty |
| 5 | 97 | 0.36 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 440 Ų buried · 10 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 7QUF · PDBe 7QUF · UniProt Q9UEE5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.