Research workbench
Crystal structure of the human KLHL2 kelch domain in complex with a WNK4 peptide
Analyse Crystal structure of the human KLHL2 kelch domain in complex with a WNK4 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CHB
- Type
- protein
- Length
- 592 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kelch-like protein 2; SERINE/THREONINE-protein kinase WNK4
- EC
- 2.7.11.1
- UniProt
- O95198, Q96J92
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 1% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Kelch-like protein 2 | protein | 286 | 0% helix, 50% strand | O95198 |
| C, D | SERINE/THREONINE-protein kinase WNK4 (EC 2.7.11.1) | protein | 10 | 30% helix, 0% strand | Q96J92 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, C, D
- 12P · Dodecaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.75 | 0.85 | 37 | empty |
| 2 | 423 | 0.75 | 0.84 | 40 | empty |
| 3 | 123 | 0.65 | 0.88 | 20 | SO4 |
| 4 | 113 | 0.36 | 0.74 | 34 | empty |
| 5 | 68 | 0.29 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–D · 520 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 507 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 489 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4CHB · Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide · the same entry in another collection · chain A against A, TM-score 1.00
- O95198 · AlphaFold monomer V2.0 prediction for kelch-like protein 2 (O95198) · a predicted model of the same protein · chain A against A, TM-score 1.00
- Q96J92 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase WNK4 (Q96J92) · a predicted model of the same protein · chain C against A, TM-score 0.57
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 O95198
- Every structure of UniProt Q96J92
- Elsewhere: RCSB PDB 4CHB · PDBe 4CHB · UniProt O95198 · UniProt Q96J92
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