Research workbench
Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site
Analyse Crystal structure of WNK3 kinase domain in a monophosphorylated state with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5O21
- Type
- protein
- Length
- 547 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase WNK3
- EC
- 2.7.11.1
- UniProt
- Q9BYP7
- Ligands
- CL
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase WNK3 (EC 2.7.11.1) | protein | 273 | 42% helix, 20% strand | Q9BYP7 |
| B | SERINE/THREONINE-protein kinase WNK3 (EC 2.7.11.1) | protein | 274 | 42% helix, 20% strand | Q9BYP7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 16 copies · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 826 | 0.70 | 0.76 | 83 | empty |
| 2 | 232 | 0.58 | 0.79 | 30 | CL |
| 3 | 265 | 0.57 | 0.77 | 32 | CL |
Interfaces
1 interface between chains.
- A–B · 334 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5O21 · Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BYP7 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase WNK3 (Q9BYP7) · 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 Q9BYP7
- Elsewhere: RCSB PDB 5O21 · PDBe 5O21 · UniProt Q9BYP7
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