MolNFT v1 · #148891 · protein
Crystal structure of ERK2 in complex with an adenosine derivative
6FJZ · Mitogen-activated protein kinase 1: “Crystal structure of ERK2 in complex with an adenosine derivative”. X-ray diffraction, 2 ligands (DKW, SO4), 3 pockets (best druggability 0.67). MolNFT v1 #148891 on GenesisL1: 3D structure…
- PDB
- 6FJZ
- 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
- DKW, SO4
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 346 | 40% helix, 16% strand | P63086 |
Ligands and binding sites
- DKW · (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 418 | 0.67 | 0.79 | 34 | DKW |
| 2 | 123 | 0.51 | 0.81 | 27 | empty |
| 3 | 86 | 0.36 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6FJZ · Crystal structure of ERK2 in complex with an adenosine derivative · the same entry in another collection · chain A against A, TM-score 1.00
- P63086 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 1 (P63086) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 6FJZ · PDBe 6FJZ · UniProt P63086
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