UniProt Q8N5S9

Calcium/calmodulin-dependent protein kinase kinase 1 (Q8N5S9)

Calcium/calmodulin-dependent protein kinase kinase 1 (UniProt Q8N5S9), EC 2.7.11.17: 4 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 11 pockets. Binding sites, druggability and experiment against…

UniProt: Q8N5S9
Protein: Calcium/calmodulin-dependent protein kinase kinase 1
EC: 2.7.11.17
Experimental structures: 4
Predicted models: 1
Ligands: 4
Pockets: 11 · 1 record with a druggable one

Structures

5 records of Q8N5S9 in the MolNFT archive: 4 experimental, 1 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
6CCF	Crystal Structure of the Human CAMKK1A in complex with Hesperadin	x-ray diffraction	A, B	H1N, SCN	—
6CCF	Crystal structure of the human CAMKK1A in complex with hesperadin	x-ray diffraction	A, B	H1N, SCN	—
6CD6	Crystal Structure of the Human CAMKK1A in complex with GSK650394	x-ray diffraction	A, B, C, D	DXV, CL	11 (best 0.76)
6CD6	Crystal structure of the human CAMKK1A in complex with GSK650394	x-ray diffraction	A, B, C, D	DXV, CL	—
Q8N5S9	AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase kinase 1 (Q8N5S9)	predicted	A	—	—

Ligands

CL · Chloride ion · in 2 records
DXV · 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid · in 2 records
H1N · N-[2-oxo-3-((E)-phenyl{[4-(piperidin-1-ylmethyl) phenyl]imino}methyl)-2,6-dihydro-1H-indol-5-yl]ethanesulfonamide · in 2 records
SCN · Thiocyanate ion · in 2 records

Experiment against prediction

6CD6 chain B against the predicted model Q8N5S9: TM-score 0.99, RMSD 0.75 Å
6CD6 chain B against the predicted model Q8N5S9: TM-score 0.99, RMSD 0.75 Å
6CD6 chain D against the predicted model Q8N5S9: TM-score 0.99, RMSD 0.79 Å
6CD6 chain D against the predicted model Q8N5S9: TM-score 0.99, RMSD 0.79 Å
6CD6 chain A against the predicted model Q8N5S9: TM-score 0.98, RMSD 0.85 Å
6CD6 chain A against the predicted model Q8N5S9: TM-score 0.98, RMSD 0.85 Å
6CCF chain A against the predicted model Q8N5S9: TM-score 0.98, RMSD 0.89 Å
6CCF chain A against the predicted model Q8N5S9: TM-score 0.98, RMSD 0.89 Å
6CD6 chain C against the predicted model Q8N5S9: TM-score 0.98, RMSD 0.92 Å
6CD6 chain C against the predicted model Q8N5S9: TM-score 0.98, RMSD 0.92 Å

Elsewhere

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