MolNFT v1 · #159445 · protein
Phosphorylated ERK2 with vertex-11E
6OPK · Mitogen-activated protein kinase 1: “Phosphorylated ERK2 with vertex-11E”. X-ray diffraction, 1 ligand (390), 4 pockets (best druggability 0.68). MolNFT v1 #159445 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OPK
- Type
- protein
- Length
- 346 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
- P63086
- Ligands
- 390
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 346 | 40% helix, 15% strand | P63086 |
Ligands and binding sites
- 390 · 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.68 | 0.82 | 42 | 390 |
| 2 | 228 | 0.59 | 0.80 | 39 | empty |
| 3 | 69 | 0.33 | 0.75 | 17 | empty |
| 4 | 67 | 0.27 | 0.72 | 13 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
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 P63086
- Elsewhere: RCSB PDB 6OPK · PDBe 6OPK · UniProt P63086
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.