MolNFT v1 · #51318 · protein
Structural insights into the recognition of substrates and activators by the OSR1 kinase
2V3S · SERINE/THREONINE-protein kinase OSR1: “Structural insights into the recognition of substrates and activators by the OSR1 kinase”. X-ray diffraction, 3 pockets (best druggability 0.52). MolNFT v1 #51318 on GenesisL1: 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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