Research workbench
Crystal structure of human ERK2 complexed with a MAPK docking peptide
Analyse Crystal structure of human ERK2 complexed with a MAPK docking peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TEI
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 1; Ribosomal protein S6 kinase alpha-1
- EC
- 2.7.11.24, 2.7.11.1
- UniProt
- P28482, Q15418
- Ligands
- ANP
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 339 | 35% helix, 15% strand | P28482 |
| B | Ribosomal protein S6 kinase alpha-1 (EC 2.7.11.1) | protein | 17 | 53% helix, 0% strand | Q15418 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.72 | 0.84 | 40 | ANP |
| 2 | 233 | 0.57 | 0.78 | 35 | empty |
| 3 | 82 | 0.51 | 0.84 | 17 | empty |
| 4 | 64 | 0.32 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 783 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3TEI · Crystal structure of human ERK2 complexed with a MAPK docking peptide · the same entry in another collection · chain A against A, TM-score 1.00
- Q15418 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-1 (Q15418) · a predicted model of the same protein · chain B against A, TM-score 0.49
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
- Every structure of UniProt Q15418
- Elsewhere: RCSB PDB 3TEI · PDBe 3TEI · UniProt P28482 · UniProt Q15418
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