UniProt Q9H4A3
Serine/threonine-protein kinase WNK1 (Q9H4A3)
Serine/threonine-protein kinase WNK1 (UniProt Q9H4A3), EC 2.7.11.1: 10 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 16 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9H4A3
- Protein
- Serine/threonine-protein kinase WNK1
- EC
- 2.7.11.1
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 16 · 3 records with a druggable one
Structures
11 records of Q9H4A3 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4PWN | Crystal structure of Active WNK1 kinase | x-ray diffraction | A | — | — |
| 4PWN | Crystal structure of active WNK1 kinase | x-ray diffraction | A | — | — |
| 5TF9 | Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476 | x-ray diffraction | A, B | 7AV, ANP, MN, CA | 6 (best 0.74) |
| 5TF9 | Crystal structure of WNK1 in complex with MN2+AMPPNP and WNK476 | x-ray diffraction | A, B | 7AV, ANP, MN, CA | — |
| 5WDY | Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4… | x-ray diffraction | A, B | ANP, A6S, MN | — |
| 5WDY | Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1… | x-ray diffraction | A, B | ANP, A6S, MN | — |
| 5WE8 | Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-me… | x-ray diffraction | A, B | MN, ANP, A7Y | 3 (best 0.84) |
| 5WE8 | Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)… | x-ray diffraction | A, B | MN, ANP, A7Y | — |
| 6FBK | Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide | x-ray diffraction | P | — | — |
| 6FBK | Crystal structure of the human WNK2 cct-like 1 domain in complex with a WNK1 rfxv peptide | x-ray diffraction | P | — | — |
| Q9H4A3 | AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase WNK1 (Q9H4A3) | predicted | A | — | 7 (best 0.75) |
Ligands
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 6 records
- MN · Manganese (II) ion · in 6 records
- 7AV · {2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1H-indol-1-yl}methanone · in 2 records
- A6S · 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl) pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine · in 2 records
- A7Y · N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide · in 2 records
- CA · Calcium ion · in 2 records
Experiment against prediction
- 4PWN chain A against the predicted model Q9H4A3: TM-score 0.96, RMSD 1.30 Å
- 4PWN chain A against the predicted model Q9H4A3: TM-score 0.96, RMSD 1.30 Å
- 5TF9 chain A against the predicted model Q9H4A3: TM-score 0.92, RMSD 1.87 Å
- 5TF9 chain A against the predicted model Q9H4A3: TM-score 0.92, RMSD 1.87 Å
- 5WDY chain A against the predicted model Q9H4A3: TM-score 0.92, RMSD 1.98 Å
- 5WDY chain A against the predicted model Q9H4A3: TM-score 0.92, RMSD 1.98 Å
- 5TF9 chain B against the predicted model Q9H4A3: TM-score 0.91, RMSD 2.12 Å
- 5TF9 chain B against the predicted model Q9H4A3: TM-score 0.91, RMSD 2.12 Å
- 5WDY chain B against the predicted model Q9H4A3: TM-score 0.90, RMSD 2.00 Å
- 5WDY chain B against the predicted model Q9H4A3: TM-score 0.90, RMSD 2.00 Å
Elsewhere
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