MolNFT v1 · #161325 · protein
Crystal structure of ULK2 in complexed with hesperadin
6QAT · SERINE/THREONINE-protein kinase ULK2: “Crystal structure of ULK2 in complexed with hesperadin”. X-ray diffraction, 1 ligand (FE7), 10 pockets (best druggability 0.74). MolNFT v1 #161325 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6QAT
- Type
- protein
- Length
- 1,013 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase ULK2
- EC
- 2.7.11.1
- UniProt
- Q8IYT8
- Ligands
- FE7
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase ULK2 (EC 2.7.11.1) | protein | 259 | 37% helix, 22% strand | Q8IYT8 |
| B | SERINE/THREONINE-protein kinase ULK2 (EC 2.7.11.1) | protein | 245 | 36% helix, 24% strand | Q8IYT8 |
| C | SERINE/THREONINE-protein kinase ULK2 (EC 2.7.11.1) | protein | 257 | 38% helix, 22% strand | Q8IYT8 |
| D | SERINE/THREONINE-protein kinase ULK2 (EC 2.7.11.1) | protein | 252 | 37% helix, 22% strand | Q8IYT8 |
Ligands and binding sites
- FE7 · N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl) methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 785 | 0.74 | 0.79 | 57 | empty |
| 2 | 543 | 0.72 | 0.80 | 45 | empty |
| 3 | 535 | 0.70 | 0.79 | 53 | FE7 |
| 4 | 372 | 0.68 | 0.81 | 36 | FE7 |
| 5 | 287 | 0.68 | 0.83 | 36 | FE7 |
Interfaces
4 interfaces between chains.
- A–B · 435 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 429 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 320 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 70 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6QAT · Crystal structure of ULK2 in complexed with hesperadin · the same entry in another collection · chain C against C, TM-score 1.00
- Q8IYT8 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase ULK2 (Q8IYT8) · a predicted model of the same protein · chain D against A, TM-score 0.93
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 Q8IYT8
- Elsewhere: RCSB PDB 6QAT · PDBe 6QAT · UniProt Q8IYT8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.