MolNFT v1 · #157067 · protein
ULK1 unc-51 like autophagy activating kinase in complex with inhibitor btc
6MNH · SERINE/THREONINE-protein kinase ULK1: “ULK1 unc-51 like autophagy activating kinase in complex with inhibitor btc”. X-ray diffraction, 2 ligands (JVD, CL), 2 pockets (best druggability 0.70). MolNFT v1 #157067 on GenesisL1: 3D…
- PDB
- 6MNH
- Type
- protein
- Length
- 267 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase ULK1
- EC
- 2.7.11.1
- UniProt
- O75385
- Ligands
- JVD, CL
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase ULK1 (EC 2.7.11.1) | protein | 267 | 39% helix, 21% strand | O75385 |
Ligands and binding sites
- JVD · N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.70 | 0.86 | 34 | JVD |
| 2 | 63 | 0.49 | 0.85 | 16 | empty |
Modifications
Observed in the structure: 2 modified (oxidation, phosphorylation).
Compared structures
- 6MNH · ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC · the same entry in another collection · chain A against A, TM-score 1.00
- O75385 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase ULK1 (O75385) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 O75385
- Elsewhere: RCSB PDB 6MNH · PDBe 6MNH · UniProt O75385
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