MolNFT v1 · #112676 · protein
Mitogen activated protein kinase 7 in complex with inhibitor
4ZSJ · Mitogen-activated protein kinase 7: “Mitogen activated protein kinase 7 in complex with inhibitor”. X-ray diffraction, 1 ligand (4R0), 4 pockets (best druggability 0.54). MolNFT v1 #112676 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ZSJ
- Type
- protein
- Length
- 344 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 7
- EC
- 2.7.11.24
- UniProt
- Q13164
- Ligands
- 4R0
- Pockets
- 4 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 7 (EC 2.7.11.24) | protein | 344 | 44% helix, 13% strand | Q13164 |
Ligands and binding sites
- 4R0 · 3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide · ligand · chains A
- GOL · Glycerol · additive · 4 copies · 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 | 100 | 0.54 | 0.84 | 18 | 4R0 |
| 2 | 53 | 0.42 | 0.83 | 18 | empty |
| 3 | 51 | 0.32 | 0.77 | 15 | empty |
| 4 | 79 | 0.31 | 0.74 | 18 | empty |
Compared structures
- 4ZSJ · Mitogen activated protein kinase 7 in complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q13164 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 7 (Q13164) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q13164
- Elsewhere: RCSB PDB 4ZSJ · PDBe 4ZSJ · UniProt Q13164
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