MolNFT v1 · #54930 · protein
KSR2-MEK1 heterodimer
2Y4I · Kinase suppressor of RAS 2: “KSR2-MEK1 heterodimer”. X-ray diffraction, 3 ligands (ATP, MG, CL), 8 pockets (best druggability 0.80). MolNFT v1 #54930 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Y4I
- Type
- protein
- Length
- 578 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinase suppressor of RAS 2; Dual specificity mitogen-activated protein kinase kinase 1
- EC
- 2.7.12.2
- UniProt
- Q6VAB6, P29678
- Ligands
- ATP, MG, CL
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Kinase suppressor of RAS 2 | protein | 265 | 32% helix, 13% strand | Q6VAB6 |
| C | Dual specificity mitogen-activated protein kinase kinase 1 (EC 2.7.12.2) | protein | 313 | 41% helix, 12% strand | P29678 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, C
- MG · Magnesium ion · metal · 2 copies · chains B, C
- CL · Chloride ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.80 | 0.82 | 95 | ATP, MG |
| 2 | 528 | 0.72 | 0.81 | 58 | ATP, MG |
| 3 | 334 | 0.60 | 0.77 | 46 | empty |
| 4 | 252 | 0.60 | 0.79 | 41 | empty |
| 5 | 182 | 0.52 | 0.78 | 28 | empty |
Interfaces
1 interface between chains.
- B–C · 839 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2Y4I · KSR2-MEK1 heterodimer · the same entry in another collection · chain B against B, TM-score 1.00
- P29678 · AlphaFold monomer V2.0 prediction for dual specificity mitogen- activated protein kinase… · a predicted model of the same protein · chain C against A, TM-score 0.97
- Q6VAB6 · AlphaFold monomer V2.0 prediction for kinase suppressor of RAS 2 (Q6VAB6) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q6VAB6
- Every structure of UniProt P29678
- Elsewhere: RCSB PDB 2Y4I · PDBe 2Y4I · UniProt Q6VAB6 · UniProt P29678
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