MolNFT v1 · #93481 · protein
Crystal structure of human ERK2 complexed with a MAPK docking peptide
4H3Q · Mitogen-activated protein kinase 1: “Crystal structure of human ERK2 complexed with a MAPK docking peptide”. X-ray diffraction, 1 ligand (ANP), 3 pockets (best druggability 0.75). MolNFT v1 #93481 on GenesisL1: 3D structure, binding…
- PDB
- 4H3Q
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 1; Dual specificity mitogen-activated protein kinase…
- EC
- 2.7.11.24, 2.7.12.2
- UniProt
- P28482, P36507
- Ligands
- ANP
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 352 | 36% helix, 17% strand | P28482 |
| B | Dual specificity mitogen-activated protein kinase kinase 2 (EC 2.7.12.2) | protein | 12 | 0% helix, 0% strand | P36507 |
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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 380 | 0.75 | 0.85 | 46 | ANP |
| 2 | 60 | 0.44 | 0.83 | 22 | empty |
| 3 | 52 | 0.44 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 629 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4H3Q · 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
- P36507 · AlphaFold monomer V2.0 prediction for dual specificity mitogen- activated protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.44
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 P36507
- Elsewhere: RCSB PDB 4H3Q · PDBe 4H3Q · UniProt P28482 · UniProt P36507
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