MolNFT v1 · #53401 · protein
Structure of the heterotrimeric LKB1-stradalpha-MO25ALPHA complex
2WTK · Calcium-binding protein 39: “Structure of the heterotrimeric LKB1-stradalpha-MO25ALPHA complex”. X-ray diffraction, 2 ligands (ANP, SO4), 20 pockets (best druggability 0.81). MolNFT v1 #53401 on GenesisL1: 3D structure, binding…
- PDB
- 2WTK
- Type
- protein
- Length
- 1,818 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium-binding protein 39; STE20-related kinase adapter protein alpha…
- EC
- 2.7.11.1
- UniProt
- Q9Y376, Q7RTN6, Q15831
- Ligands
- ANP, SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-binding protein 39 | protein | 321 | 76% helix, 1% strand | Q9Y376 |
| B | STE20-related kinase adapter protein alpha | protein | 311 | 37% helix, 19% strand | Q7RTN6 |
| C | SERINE/THREONINE-protein kinase 11 (EC 2.7.11.1) | protein | 285 | 37% helix, 17% strand | Q15831 |
| D | Calcium-binding protein 39 | protein | 325 | 76% helix, 1% strand | Q9Y376 |
| E | STE20-related kinase adapter protein alpha | protein | 308 | 37% helix, 19% strand | Q7RTN6 |
| F | SERINE/THREONINE-protein kinase 11 (EC 2.7.11.1) | protein | 268 | 33% helix, 19% strand | Q15831 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 4 copies · chains B, C, E, F
- SO4 · Sulfate ion · ion · chains D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1106 | 0.81 | 0.82 | 123 | empty |
| 2 | 566 | 0.79 | 0.85 | 64 | ANP |
| 3 | 1017 | 0.79 | 0.81 | 94 | empty |
| 4 | 507 | 0.74 | 0.82 | 56 | empty |
| 5 | 458 | 0.72 | 0.82 | 56 | ANP |
Interfaces
7 interfaces between chains.
- D–E · 1707 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1569 Ų buried · 26 hydrogen bonds · protein-protein
- D–F · 947 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 900 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 844 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2WTK · Structure of the heterotrimeric LKB1-STRADalpha-MO25alpha complex · the same entry in another collection · chain F against F, TM-score 1.00
- Q15831 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase STK11 (Q15831) · a predicted model of the same protein · chain C against A, TM-score 0.99
- Q9Y376 · AlphaFold monomer V2.0 prediction for calcium-binding protein 39 (Q9Y376) · a predicted model of the same protein · chain D against A, TM-score 0.98
- Q7RTN6 · AlphaFold monomer V2.0 prediction for STE20-related kinase adapter protein alpha (Q7RTN6) · a predicted model of the same protein · chain E against A, TM-score 0.97
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 Q9Y376
- Every structure of UniProt Q7RTN6
- Every structure of UniProt Q15831
- Elsewhere: RCSB PDB 2WTK · PDBe 2WTK · UniProt Q9Y376 · UniProt Q7RTN6 · UniProt Q15831
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