Research workbench
Structural basis for autoactivation of human MST2 kinase and its regulation by RASSF5
Analyse Structural basis for autoactivation of human MST2 kinase and its regulation by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LG4
- Type
- protein
- Length
- 1,662 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 3
- EC
- 2.7.11.1
- UniProt
- Q13188
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 289 | 48% helix, 16% strand | Q13188 |
| B | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 284 | 49% helix, 15% strand | Q13188 |
| C | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 288 | 46% helix, 16% strand | Q13188 |
| D | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 250 | 48% helix, 11% strand | Q13188 |
| E | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 275 | 47% helix, 15% strand | Q13188 |
| F | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 276 | 45% helix, 15% strand | Q13188 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.80 | 0.91 | 37 | empty |
| 2 | 1115 | 0.79 | 0.80 | 104 | empty |
| 3 | 822 | 0.77 | 0.81 | 71 | GOL |
| 4 | 368 | 0.74 | 0.85 | 48 | empty |
| 5 | 1141 | 0.72 | 0.75 | 90 | GOL |
Interfaces
9 interfaces between chains.
- A–F · 1230 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1190 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 905 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 721 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 668 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4LG4 · Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5 · the same entry in another collection · chain F against F, TM-score 1.00
- Q13188 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 3 (Q13188) · a predicted model of the same protein · chain D 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 Q13188
- Elsewhere: RCSB PDB 4LG4 · PDBe 4LG4 · UniProt Q13188
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