KinCore

Ligand: 39I

Total number of chains: 3

Spatial label	Dihedral label	Number of Chains	Representative
DFGin	BLAminus	3	7OY6C

Database table as tsv

Family	Gene	UniprotID	PDB	Resolution	Activity	Spatial-Dihedral	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type	Residues in structure	Unresolved residues in A-loop	Phosphorylation	Mutation	Protein
CMGC	DYRK1A	DYR1A_HUMAN	7OY6	2.38	Inactive	DFGin‑BLAminus	in-in	in-out	39I	Type1	135 - 481	0	X321	None	Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC	GSK3B	GSK3B_HUMAN	7OY5	2.57	Active	DFGin‑BLAminus	in-in	in-in	39I	Type1	35 - 385	0	None	None	Glycogen synthase kinase-3 beta
CMGC	GSK3B	GSK3B_HUMAN	7OY5	2.57	Active	DFGin‑BLAminus	in-in	in-in	39I	Type1	35 - 383	0	None	None	Glycogen synthase kinase-3 beta

Ligand: 39I

Total number of chains: 3

Spatial label	Dihedral label	Number of Chains	Representative
DFGin	BLAminus	3	7OY6C

Database table as tsv

Family	Gene	UniprotID	PDB	Resolution	Activity	Spatial-Dihedral	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type	Residues in structure	Unresolved residues in A-loop	Phosphorylation	Mutation	Protein	Organism
CMGC	DYRK1A	DYR1A_HUMAN	7OY6	2.38	Inactive	DFGin‑BLAminus	in-in	in-out	39I	Type1	135 - 481	0	X321	None	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Homo sapiens
CMGC	GSK3B	GSK3B_HUMAN	7OY5	2.57	Active	DFGin‑BLAminus	in-in	in-in	39I	Type1	35 - 385	0	None	None	Glycogen synthase kinase-3 beta	Homo sapiens
CMGC	GSK3B	GSK3B_HUMAN	7OY5	2.57	Active	DFGin‑BLAminus	in-in	in-in	39I	Type1	35 - 383	0	None	None	Glycogen synthase kinase-3 beta	Homo sapiens

Ligand: 39I

Total number of chains: 0

Spatial label	Dihedral label	Number of Chains	Representative

Database table as tsv

Family	Gene	UniprotID	PDB	Resolution	Activity	Spatial-Dihedral	Chelix-SaltBridge	ActLoopNT-ActLoopCT	Ligand	Type	Residues in structure	Unresolved residues in A-loop	Phosphorylation	Mutation	Protein	Organism