MolNFT v1 · #56198 · protein
Unphosphorylated mitogen activated protein kinase ERK2 in complex with (4-{[5-carbamoyl-4-(3-METHYLANILINO)PYRIMIDIN 2-YL]AMINO}PHENYL)ACETIC acid
2Z7L · Mitogen-activated protein kinase 1: “Unphosphorylated mitogen activated protein kinase ERK2 in complex with…”. X-ray diffraction, 2 ligands (S91, SO4), 4 pockets (best druggability 0.61). MolNFT v1 #56198 on GenesisL1: 3D structure…
- PDB
- 2Z7L
- Type
- protein
- Length
- 329 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
- S91, SO4
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 329 | 41% helix, 13% strand | P63086 |
Ligands and binding sites
- S91 · [4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- BME · Beta-mercaptoethanol · additive · 3 copies · 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 | 355 | 0.61 | 0.77 | 33 | S91, BME |
| 2 | 94 | 0.51 | 0.83 | 19 | empty |
| 3 | 69 | 0.30 | 0.74 | 21 | empty |
| 4 | 58 | 0.29 | 0.74 | 14 | empty |
Modifications
Observed in the structure: 3 covalent (additive adduct).
Compared structures
- 2Z7L · Unphosphorylated Mitogen Activated Protein Kinase ERK2 in Complex with… · 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 2Z7L · PDBe 2Z7L · UniProt P63086
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.