MolNFT v1 · #64160 · protein
JNK3 bound to piperazine amide inhibitor, SR2774.
3FV8 · Mitogen-activated protein kinase 10: “JNK3 bound to piperazine amide inhibitor, SR2774.”. X-ray diffraction, 1 ligand (JK3), 4 pockets (best druggability 0.68). MolNFT v1 #64160 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3FV8
- Type
- protein
- Length
- 334 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
- JK3
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 334 | 39% helix, 18% strand | P53779 |
Ligands and binding sites
- JK3 · 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · 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 | 345 | 0.68 | 0.82 | 38 | JK3 |
| 2 | 109 | 0.41 | 0.77 | 24 | empty |
| 3 | 86 | 0.39 | 0.77 | 15 | EDO |
| 4 | 84 | 0.32 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 3 modified (nonstandard).
Compared structures
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 3FV8 · PDBe 3FV8 · UniProt P53779
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