Ligand: D15

Total number of chains: 9
Active chains: 6
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 9 100.0% 2VX3A

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CMGC CDKL1 CDKL1_HUMAN 4AGUA 2.4 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn D15 Type1 2 - 291 0 None T159D,Y161E Cyclin-dependent kinase-like 1
CMGC CDKL1 CDKL1_HUMAN 4AGUB 2.4 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn D15 Type1 3 - 292 0 None T159D,Y161E Cyclin-dependent kinase-like 1
CMGC CDKL1 CDKL1_HUMAN 4AGUC 2.4 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn D15 Type1 2 - 291 0 None T159D,Y161E Cyclin-dependent kinase-like 1
CMGC DYRK1A DYR1A_HUMAN 2VX3A 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 481 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 2VX3B 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 2VX3C 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 2VX3D 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 2WO6A 2.5 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 133 - 481 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 2WO6B 2.5 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 136 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: D15

Total number of chains: 9
Active chains: 6
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 9 100.0% 2VX3A

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC CDKL1 CDKL1_HUMAN 4AGUA 2.4 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn D15 Type1 2 - 291 0 None T159D,Y161E Cyclin-dependent kinase-like 1 Homo sapiens
CMGC CDKL1 CDKL1_HUMAN 4AGUB 2.4 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn D15 Type1 3 - 292 0 None T159D,Y161E Cyclin-dependent kinase-like 1 Homo sapiens
CMGC CDKL1 CDKL1_HUMAN 4AGUC 2.4 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn D15 Type1 2 - 291 0 None T159D,Y161E Cyclin-dependent kinase-like 1 Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 2VX3A 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 481 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 2VX3B 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 2VX3C 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 2VX3D 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 2WO6A 2.5 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 133 - 481 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 2WO6B 2.5 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii D15 Type1 136 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens

Ligand: D15

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism