UniProt Q96RR4
Calcium/calmodulin-dependent protein kinase kinase 2 (Q96RR4)
Calcium/calmodulin-dependent protein kinase kinase 2 (UniProt Q96RR4), EC 2.7.11.17: 32 experimental structures and 1 predicted model on GenesisL1, 22 ligands bound, 24 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q96RR4
- Protein
- Calcium/calmodulin-dependent protein kinase kinase 2
- EC
- 2.7.11.17
- Experimental structures
- 32
- Predicted models
- 1
- Ligands
- 22
- Pockets
- 24 · 8 records with a druggable one
Structures
33 records of Q96RR4 in the MolNFT archive: 32 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2ZV2 | Crystal structure of human calcium/calmodulin-dependent protein kinase kinase 2, beta, CaMKK2… | x-ray diffraction | A | — | — |
| 2ZV2 | Crystal structure of human CALCIUM/CALMODULIN-dependent protein kinase kinase 2, beta, CAMKK2… | x-ray diffraction | A | — | — |
| 5UY6 | Crystal Structure of the Human CAMKK2B | x-ray diffraction | A | 8R4 | 3 (best 0.70) |
| 5UY6 | Crystal structure of the human CAMKK2B | x-ray diffraction | A | 8R4 | — |
| 5UYJ | Crystal Structure of the Human CAMKK2B | x-ray diffraction | A | 8R7 | 3 (best 0.71) |
| 5UYJ | Crystal structure of the human CAMKK2B | x-ray diffraction | A | 8R7 | — |
| 5VT1 | Crystal structure of the human CAMKK2B bound to a thiadiazinone benzamide inhibitor | x-ray diffraction | A | 9JS | — |
| 5YV8 | Structure of CaMKK2 in complex with CKI-002 | x-ray diffraction | A | 91L, CL | 2 (best 0.64) |
| 5YV8 | Structure of CAMKK2 in complex with cki-002 | x-ray diffraction | A | 91L, CL | — |
| 5YV9 | Structure of CAMKK2 in complex with cki-009 | x-ray diffraction | A | 91O, CL | — |
| 5YVA | Structure of CaMKK2 in complex with CKI-010 | x-ray diffraction | A | 91X, CL | — |
| 5YVA | Structure of CAMKK2 in complex with cki-010 | x-ray diffraction | A | 91X, CL | — |
| 5YVB | Structure of CAMKK2 in complex with cki-011 | x-ray diffraction | A | 92C, CL | — |
| 5YVC | Structure of CaMKK2 in complex with CKI-012 | x-ray diffraction | A | SU6, CL | 2 (best 0.68) |
| 5YVC | Structure of CAMKK2 in complex with cki-012 | x-ray diffraction | A | SU6, CL | — |
| 6BKU | Crystal structure of the human CAMKK2B bound to GSK650394 | x-ray diffraction | A | DXV | — |
| 6BLE | Crystal structure of the human CAMKK2B in complex with CP673451 | x-ray diffraction | A | 34U | — |
| 6BQL | Crystal structure of the human CAMKK2B in complex with tae-226 | x-ray diffraction | A | BI9, CL, NH4 | — |
| 6BQP | Crystal Structure of the Human CAMKK2B in complex with Crenolanib | x-ray diffraction | A | 6T2 | 3 (best 0.68) |
| 6BQP | Crystal structure of the human CAMKK2B in complex with crenolanib | x-ray diffraction | A | 6T2 | — |
| 6BQQ | Crystal structure of the human CAMKK2B in complex with BI2526 | x-ray diffraction | A | R78 | — |
| 6BRC | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) | x-ray diffraction | A, B | E5J, NA | — |
| 6BRC | Crystal structure of the human CAMKK2B in complex with AP26113-analog (ALK-in-1) | x-ray diffraction | A, B | E5J, NA | — |
| 6CMJ | Human CAMKK2 with GSK650393 | x-ray diffraction | A, B | F6J | — |
| 6FEL | Structure of 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser511 | x-ray diffraction | E, F, G, H | — | 7 (best 0.72) |
| 6FEL | Structure of 14-3-3 gamma in complex with CAMKK2 14-3-3 binding motif SER511 | x-ray diffraction | E, F, G, H | — | — |
| 6Y4K | Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and… | x-ray diffraction | E, F | FSC | 2 (best 0.52) |
| 6Y4K | Crystal structure of human 14-3-3 gamma in complex with CAMKK2 14-3-3 binding motif SER100 and… | x-ray diffraction | E, F | FSC | — |
| 6Y6B | Crystal structure of human 14-3-3 gamma in complex with CAMKK2 14-3-3 binding motif SER100 and… | x-ray diffraction | C, D | OD8 | — |
| 6Y8A | 14-3-3 Sigma in complex with phosphorylated camkk2{pS511} peptide | x-ray diffraction | P | — | — |
| 6Y8A | 14-3-3 sigma in complex with phosphorylated CAMKK2{PS511} peptide | x-ray diffraction | P | — | — |
| 8TUC | Unphosphorylated CaMKK2 in complex with CC-8977 | x-ray diffraction | A | O7I, SO4 | 2 (best 0.70) |
| Q96RR4 | AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase kinase 2 (Q96RR4) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 9 records
- 6T2 · 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine · in 2 records
- 8R4 · 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl) benzoic acid · in 2 records
- 8R7 · 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid · in 2 records
- 91L · 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid · in 2 records
- 91X · 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione · in 2 records
- E5J · 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl) phenyl]pyrimidine-2,4-diamine · in 2 records
- FSC · Fusicoccin · in 2 records
- NA · Sodium ion · in 2 records
- SU6 · 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid · in 2 records
- 34U · 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine · in 1 record
- 91O · 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid · in 1 record
- 92C · (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl) methylidene]-1,3-dihydro-2H-indol-2-one · in 1 record
- 9JS · 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide · in 1 record
- BI9 · 2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl) amino]pyrimidin-4-yl}amino)-N-methylbenzamide · in 1 record
- DXV · 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid · in 1 record
- F6J · 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid · in 1 record
- NH4 · Ammonium ion · in 1 record
- O7I · (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid · in 1 record
- OD8 · (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R}, 14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3, 7}]tetradecanyl]oxy]oxane-3,4,5-triol · in 1 record
- R78 · 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 6BKU chain A against the predicted model Q96RR4: TM-score 0.99, RMSD 0.61 Å
- 6BRC chain B against the predicted model Q96RR4: TM-score 0.99, RMSD 0.70 Å
- 6BRC chain B against the predicted model Q96RR4: TM-score 0.99, RMSD 0.70 Å
- 6BRC chain A against the predicted model Q96RR4: TM-score 0.99, RMSD 0.73 Å
- 6BRC chain A against the predicted model Q96RR4: TM-score 0.99, RMSD 0.73 Å
- 5UY6 chain A against the predicted model Q96RR4: TM-score 0.98, RMSD 0.92 Å
- 5UY6 chain A against the predicted model Q96RR4: TM-score 0.98, RMSD 0.92 Å
- 5UYJ chain A against the predicted model Q96RR4: TM-score 0.98, RMSD 0.96 Å
- 5UYJ chain A against the predicted model Q96RR4: TM-score 0.98, RMSD 0.96 Å
- 8TUC chain A against the predicted model Q96RR4: TM-score 0.98, RMSD 0.97 Å
Elsewhere
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