Research workbench
Jnk-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-BENZO[D][1,3]DIOXIN-8-yl) methyl)-3-(HYDROXYIMINO)INDOLIN-2-one
Analyse Jnk-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-BENZO[D][1,3]DIOXIN-8-yl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G90
- Type
- protein
- Length
- 345 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 10
- EC
- 2.7.11.24
- UniProt
- P53779
- Ligands
- J72
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 345 | 40% helix, 17% strand | P53779 |
Ligands and binding sites
- J72 · (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime · ligand · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 606 | 0.70 | 0.78 | 54 | J72 |
| 2 | 60 | 0.30 | 0.74 | 14 | empty |
| 3 | 53 | 0.25 | 0.73 | 13 | empty |
Compared structures
- 3G90 · JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimi… · the same entry in another collection · chain X against X, TM-score 1.00
- P53779 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 10 (P53779) · a predicted model of the same protein · chain X against A, TM-score 0.96
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 P53779
- Elsewhere: RCSB PDB 3G90 · PDBe 3G90 · UniProt P53779
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