MolNFT v1 · #63801 · protein
P38 kinase crystal structure in complex with RO3668
3FKO · Mitogen-activated protein kinase 14: “P38 kinase crystal structure in complex with RO3668”. X-ray diffraction, 1 ligand (FKO), 4 pockets (best druggability 0.70). MolNFT v1 #63801 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3FKO
- Type
- protein
- Length
- 343 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
- FKO
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 343 | 39% helix, 14% strand | Q16539 |
Ligands and binding sites
- FKO · 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole · ligand · 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 | 430 | 0.70 | 0.81 | 49 | FKO |
| 2 | 84 | 0.33 | 0.74 | 19 | empty |
| 3 | 53 | 0.32 | 0.77 | 18 | empty |
| 4 | 54 | 0.27 | 0.73 | 15 | empty |
Compared structures
- 3FKO · P38 kinase crystal structure in complex with RO3668 · 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 3FKO · PDBe 3FKO · UniProt Q16539
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