MolNFT v1 · #173879 · protein
MAPK14 bound with SR300
7BDQ · Mitogen-activated protein kinase 14: “MAPK14 bound with SR300”. X-ray diffraction, 1 ligand (TJZ), 4 pockets (best druggability 0.73). MolNFT v1 #173879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BDQ
- Type
- protein
- Length
- 336 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
- TJZ
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 336 | 42% helix, 12% strand | P47811 |
Ligands and binding sites
- TJZ · ~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.73 | 0.80 | 62 | TJZ, EDO |
| 2 | 65 | 0.38 | 0.79 | 16 | empty |
| 3 | 103 | 0.37 | 0.74 | 19 | empty |
| 4 | 56 | 0.27 | 0.74 | 14 | empty |
Compared structures
- 7BDQ · MAPK14 bound with SR300 · 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 7BDQ · PDBe 7BDQ · UniProt P47811
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