MolNFT v1 · #84692 · protein
X-ray structure of P38ALPHA bound to tak-715
3ZSG · Mitogen-activated protein kinase 14: “X-ray structure of P38ALPHA bound to tak-715”. X-ray diffraction, 1 ligand (T75), 7 pockets (best druggability 0.66). MolNFT v1 #84692 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3ZSG
- 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
- Q16539
- Ligands
- T75
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 337 | 39% helix, 16% strand | Q16539 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 396 | 0.66 | 0.79 | 46 | T75 |
| 2 | 222 | 0.65 | 0.83 | 30 | BOG |
| 3 | 108 | 0.39 | 0.75 | 19 | empty |
| 4 | 65 | 0.36 | 0.78 | 20 | empty |
| 5 | 74 | 0.31 | 0.74 | 16 | empty |
Compared structures
- 3ZSG · X-ray structure of p38alpha bound to TAK-715 · 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 Q16539
- Elsewhere: RCSB PDB 3ZSG · PDBe 3ZSG · UniProt Q16539
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