MolNFT v1 · #61052 · protein
Crystal structure of human JNK3 complexed with N-(3-methyl-4-(3-(2- (METHYLAMINO)PYRIMIDIN-4-YL)PYRIDIN-2-YLOXY)NAPHTHALEN-1-yl)-1H- BENZO[D]IMIDAZOL-2-amine
3DA6 · Mitogen-activated protein kinase 10: “Crystal structure of human JNK3 complexed with N-(3-methyl-4-(3-(2…”. X-ray diffraction, 1 ligand (BZ9), 3 pockets (best druggability 0.71). MolNFT v1 #61052 on GenesisL1: 3D structure, binding…
- PDB
- 3DA6
- Type
- protein
- Length
- 328 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
- BZ9
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 328 | 41% helix, 16% strand | P53779 |
Ligands and binding sites
- BZ9 · N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine · 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 | 566 | 0.71 | 0.80 | 52 | BZ9 |
| 2 | 73 | 0.34 | 0.76 | 21 | empty |
| 3 | 54 | 0.29 | 0.75 | 14 | empty |
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 3DA6 · PDBe 3DA6 · UniProt P53779
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