Research workbench
Structural insights into the recognition of substrates and activators by the OSR1 kinase
Analyse Structural insights into the recognition of substrates and activators by the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2V3S
- Type
- protein
- Length
- 203 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase OSR1; SERINE/THREONINE-protein kinase WNK4
- EC
- 2.7.11.1
- UniProt
- O95747, Q96J92
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SERINE/THREONINE-protein kinase OSR1 (EC 2.7.11.1) | protein | 96 | 33% helix, 30% strand | O95747 |
| C | SERINE/THREONINE-protein kinase WNK4 (EC 2.7.11.1) | protein | 6 | 0% helix, 33% strand | Q96J92 |
| D | SERINE/THREONINE-protein kinase WNK4 (EC 2.7.11.1) | protein | 5 | 0% helix, 20% strand | Q96J92 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.52 | 0.78 | 28 | empty |
| 2 | 140 | 0.45 | 0.77 | 25 | empty |
| 3 | 113 | 0.45 | 0.78 | 22 | empty |
Interfaces
3 interfaces between chains.
- B–C · 406 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 391 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 349 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2V3S · Structural insights into the recognition of substrates and activators by the OSR1 kinase · the same entry in another collection · chain A against A, TM-score 1.00
- O95747 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase OSR1 (O95747) · a predicted model of the same protein · chain A against A, TM-score 0.95
- Q96J92 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase WNK4 (Q96J92) · a predicted model of the same protein · chain D against A, TM-score 0.82
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 O95747
- Every structure of UniProt Q96J92
- Elsewhere: RCSB PDB 2V3S · PDBe 2V3S · UniProt O95747 · UniProt Q96J92
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