MolNFT v1 · #111449 · protein
Crystal structure of jnk in complex with a regulator protein
4YR8 · Mitogen-activated protein kinase 8: “Crystal structure of jnk in complex with a regulator protein”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.78). MolNFT v1 #111449 on GenesisL1: 3D structure, binding sites…
- PDB
- 4YR8
- Type
- protein
- Length
- 1,822 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 8; Dual specificity protein phosphatase 16
- EC
- 2.7.11.24, 3.1.3.16, 3.1.3.48
- UniProt
- P45983, Q9BY84
- Ligands
- CL
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 7 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 317 | 39% helix, 17% strand | P45983 |
| G, B | Dual specificity protein phosphatase 16 (EC 3.1.3.16, 3.1.3.48) | protein | 141 | 46% helix, 15% strand | Q9BY84 |
| A | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 320 | 41% helix, 17% strand | P45983 |
| C | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 318 | 42% helix, 13% strand | P45983 |
| D | Dual specificity protein phosphatase 16 (EC 3.1.3.16, 3.1.3.48) | protein | 142 | 47% helix, 15% strand | Q9BY84 |
| F | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 300 | 42% helix, 14% strand | P45983 |
| H | Dual specificity protein phosphatase 16 (EC 3.1.3.16, 3.1.3.48) | protein | 143 | 46% helix, 15% strand | Q9BY84 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains G, B, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.78 | 0.81 | 99 | empty |
| 2 | 150 | 0.74 | 0.92 | 19 | empty |
| 3 | 569 | 0.69 | 0.78 | 50 | empty |
| 4 | 678 | 0.69 | 0.77 | 71 | empty |
| 5 | 327 | 0.58 | 0.76 | 40 | empty |
Interfaces
11 interfaces between chains.
- A–B · 719 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 702 Ų buried · 9 hydrogen bonds · protein-protein
- E–H · 700 Ų buried · 4 hydrogen bonds · protein-protein
- E–G · 692 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 687 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4YR8 · Crystal structure of JNK in complex with a regulator protein · the same entry in another collection · chain H against H, TM-score 1.00
- Q9BY84 · AlphaFold monomer V2.0 prediction for dual specificity protein phosphatase 16 (Q9BY84) · a predicted model of the same protein · chain H against A, TM-score 1.00
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 P45983
- Every structure of UniProt Q9BY84
- Elsewhere: RCSB PDB 4YR8 · PDBe 4YR8 · UniProt P45983 · UniProt Q9BY84
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.