MolNFT v1 · #164150 · protein
Fragment N11290A in complex with MAP kinase P38-alpha
6SOT · Mitogen-activated protein kinase 14: “Fragment N11290A in complex with MAP kinase P38-alpha”. X-ray diffraction, 4 ligands (LOQ, MG, CL), 6 pockets (best druggability 0.63). MolNFT v1 #164150 on GenesisL1: 3D structure, binding…
- PDB
- 6SOT
- Type
- protein
- Length
- 342 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.11.24
- UniProt
- P47811
- Ligands
- LOQ, MG, CL, SO4
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 342 | 40% helix, 14% strand | P47811 |
Ligands and binding sites
- LOQ · 1-(4-methylphenyl)pyrrolidine-2,5-dione · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 5 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.63 | 0.78 | 45 | empty |
| 2 | 90 | 0.45 | 0.80 | 15 | empty |
| 3 | 82 | 0.38 | 0.77 | 18 | CL |
| 4 | 88 | 0.36 | 0.75 | 16 | empty |
| 5 | 68 | 0.31 | 0.74 | 15 | empty |
Compared structures
- 6SOT · Fragment N11290a in complex with MAP kinase p38-alpha · the same entry in another collection · chain A against A, TM-score 1.00
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 P47811
- Elsewhere: RCSB PDB 6SOT · PDBe 6SOT · UniProt P47811
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