MolNFT v1 · #69623 · protein
JNK3 bound to aminopyrimidine inhibitor, sr-3562
3KVX · Mitogen-activated protein kinase 10: “JNK3 bound to aminopyrimidine inhibitor, sr-3562”. X-ray diffraction, 1 ligand (FMY), 1 pocket (best druggability 0.64). MolNFT v1 #69623 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3KVX
- Type
- protein
- Length
- 330 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
- FMY
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 330 | 42% helix, 17% strand | P53779 |
Ligands and binding sites
- FMY · N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 326 | 0.64 | 0.80 | 45 | FMY |
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 3KVX · PDBe 3KVX · UniProt P53779
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