MolNFT v1 · #18374 · protein
The structure of JNK3 in complex with a dihydroanthrapyrazole inhibitor
1PMV · Mitogen-activated protein kinase 10: “The structure of JNK3 in complex with a dihydroanthrapyrazole inhibitor”. X-ray diffraction, 1 ligand (537), 3 pockets (best druggability 0.74). MolNFT v1 #18374 on GenesisL1: 3D structure…
- PDB
- 1PMV
- Type
- protein
- Length
- 347 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 10
- EC
- 2.7.1.-
- UniProt
- P53779
- Ligands
- 537
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 10 (EC 2.7.1.-) | protein | 347 | 39% helix, 17% strand | P53779 |
Ligands and binding sites
- 537 · 2,6-dihydroanthra/1,9-cd/pyrazol-6-one · ligand · chains A
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 | 622 | 0.74 | 0.80 | 58 | 537 |
| 2 | 80 | 0.39 | 0.78 | 19 | empty |
| 3 | 58 | 0.29 | 0.74 | 18 | empty |
Compared structures
- 1PMV · The structure of JNK3 in complex with a dihydroanthrapyrazole 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 0.95
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 1PMV · PDBe 1PMV · UniProt P53779
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