MolNFT v1 · #107335 · protein
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
4U79 · Mitogen-activated protein kinase 10: “Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.”. X-ray diffraction, 1 ligand (3EL), 4 pockets (best druggability 0.68). MolNFT v1 #107335 on GenesisL1: 3D…
- PDB
- 4U79
- Type
- protein
- Length
- 337 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
- 3EL
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 337 | 42% helix, 16% strand | P53779 |
Ligands and binding sites
- 3EL · N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide · 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 | 473 | 0.68 | 0.79 | 43 | 3EL |
| 2 | 128 | 0.43 | 0.76 | 22 | empty |
| 3 | 54 | 0.31 | 0.76 | 15 | empty |
| 4 | 59 | 0.30 | 0.75 | 15 | empty |
Compared structures
- 4U79 · Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor. · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.98
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 4U79 · PDBe 4U79 · UniProt P53779
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.