Research workbench
Crystal structure of MST4-MO25 complex with wsf motif
Analyse Crystal structure of MST4-MO25 complex with wsf motif in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FZD
- Type
- protein
- Length
- 601 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium-binding protein 39; SERINE/THREONINE-protein kinase MST4; C-terminal peptide from…
- EC
- 2.7.11.1
- UniProt
- Q9Y376, Q9P289
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-binding protein 39 | protein | 321 | 73% helix, 0% strand | Q9Y376 |
| B | SERINE/THREONINE-protein kinase MST4 (EC 2.7.11.1) | protein | 275 | 40% helix, 17% strand | Q9P289 |
| C | C-terminal peptide from SERINE/THREONINE-protein kinase MST4 | protein | 5 | 0% helix, 0% strand | Q9P289 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 457 | 0.83 | 0.90 | 53 | empty |
| 2 | 932 | 0.77 | 0.79 | 75 | GOL |
| 3 | 677 | 0.67 | 0.76 | 74 | empty |
| 4 | 60 | 0.52 | 0.87 | 19 | empty |
| 5 | 73 | 0.50 | 0.84 | 18 | empty |
Interfaces
2 interfaces between chains.
- A–B · 739 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 374 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4FZD · Crystal structure of MST4-MO25 complex with WSF motif · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y376 · AlphaFold monomer V2.0 prediction for calcium-binding protein 39 (Q9Y376) · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q9P289 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 26 (Q9P289) · 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 Q9Y376
- Every structure of UniProt Q9P289
- Elsewhere: RCSB PDB 4FZD · PDBe 4FZD · UniProt Q9Y376 · UniProt Q9P289
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