Research workbench
Crystal structure of MEK1 in complex with fragment 3
Analyse Crystal structure of MEK1 in complex with fragment 3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZLW
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity mitogen-activated protein kinase kinase 1 MAPK/ERK kinase 1, MEK 1, MEK1
- EC
- 2.7.12.2
- UniProt
- Q02750
- Ligands
- MT8
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity mitogen-activated protein kinase kinase 1 MAPK/ERK kinase 1, MEK 1, MEK1 (EC 2.7.12.2) | protein | 312 | 46% helix, 15% strand | Q02750 |
Ligands and binding sites
- MT8 · (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 433 | 0.75 | 0.84 | 56 | MT8 |
| 2 | 348 | 0.64 | 0.79 | 45 | empty |
Compared structures
- 3ZLW · Crystal structure of MEK1 in complex with fragment 3 · the same entry in another collection · chain A against A, TM-score 1.00
- Q02750 · AlphaFold monomer V2.0 prediction for dual specificity mitogen- activated protein kinase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q02750
- Elsewhere: RCSB PDB 3ZLW · PDBe 3ZLW · UniProt Q02750
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