MolNFT v1 · #92395 · protein
Crystal structure of the ERK2
4G6O · Mitogen-activated protein kinase 1: “Crystal structure of the ERK2”. X-ray diffraction, 2 ligands (E28, SO4), 5 pockets (best druggability 0.62). MolNFT v1 #92395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4G6O
- Type
- protein
- Length
- 341 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 1
- EC
- 2.7.11.24
- UniProt
- P28482
- Ligands
- E28, SO4
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 341 | 40% helix, 14% strand | P28482 |
Ligands and binding sites
- E28 · 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.62 | 0.78 | 37 | E28 |
| 2 | 106 | 0.52 | 0.82 | 28 | empty |
| 3 | 100 | 0.39 | 0.76 | 19 | empty |
| 4 | 70 | 0.35 | 0.76 | 12 | empty |
| 5 | 54 | 0.29 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 2 modified (artifact).
Compared structures
- 4G6O · Crystal Structure of the ERK2 · the same entry in another collection · chain A 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 P28482
- Elsewhere: RCSB PDB 4G6O · PDBe 4G6O · UniProt P28482
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