MolNFT v1 · #38319 · protein
Mutated MAP kinase P38 (mus musculus) in complex with inhbitor pg- 951717
2GTN · Mitogen-activated protein kinase 14: “Mutated MAP kinase P38 (mus musculus) in complex with inhbitor pg- 951717”. X-ray diffraction, 2 ligands (LIE, SO4), 5 pockets (best druggability 0.76). MolNFT v1 #38319 on GenesisL1: 3D…
- PDB
- 2GTN
- Type
- protein
- Length
- 337 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
- LIE, SO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 337 | 40% helix, 16% strand | P47811 |
Ligands and binding sites
- LIE · 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 478 | 0.76 | 0.84 | 54 | LIE |
| 2 | 133 | 0.76 | 0.94 | 22 | empty |
| 3 | 86 | 0.36 | 0.75 | 18 | SO4 |
| 4 | 85 | 0.31 | 0.72 | 17 | empty |
| 5 | 51 | 0.30 | 0.75 | 13 | empty |
Compared structures
- 2GTN · Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 · the same entry in another collection · chain A against A, TM-score 1.00
- P47811 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 14 (P47811) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 2GTN · PDBe 2GTN · UniProt P47811
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