Research workbench
MST3 in complex with jnj-7706621, 4-({5-amino-1-[(2,6-difluorophenyl) carbonyl]-1H-1,2,4-triazol-3-YL}AMINO)BENZENESULFONAMIDE
Analyse MST3 in complex with jnj-7706621, 4-({5-amino-1-[(2,6-difluorophenyl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QMU
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 24
- EC
- 2.7.11.1
- UniProt
- Q9Y6E0
- Ligands
- SKE, MG
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 24 (EC 2.7.11.1) | protein | 287 | 40% helix, 19% strand | Q9Y6E0 |
Ligands and binding sites
- SKE · 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.61 | 0.80 | 31 | SKE |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 4QMU · MST3 in complex with jnj-7706621, 4-({5-amino-1-[(2,6-DIFLUOROPHENYL)CARBONYL]-1H-1,2,4-tr… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y6E0 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 24 (Q9Y6E0) · 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 Q9Y6E0
- Elsewhere: RCSB PDB 4QMU · PDBe 4QMU · UniProt Q9Y6E0
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