MolNFT v1 · #31649 · protein
Inhibitor complex of JNK3
2B1P · Mitogen-activated protein kinase 10: “Inhibitor complex of JNK3”. X-ray diffraction, 2 ligands (AIZ, SO4), 4 pockets (best druggability 0.69). MolNFT v1 #31649 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2B1P
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 10
- EC
- 2.7.1.37
- UniProt
- P53779
- Ligands
- AIZ, SO4
- Pockets
- 4 · best druggability 0.69
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 2.7.1.37) | protein | 331 | 41% helix, 16% strand | P53779 |
Ligands and binding sites
- AIZ · 3-{6-[(2-chlorophenyl)amino]-1H-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- BME · Beta-mercaptoethanol · additive · 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 | 405 | 0.69 | 0.81 | 40 | AIZ |
| 2 | 56 | 0.48 | 0.85 | 15 | empty |
| 3 | 68 | 0.36 | 0.77 | 11 | empty |
| 4 | 61 | 0.31 | 0.75 | 19 | SO4 |
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 2B1P · PDBe 2B1P · UniProt P53779
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