Ligand: IE6

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 9FR9A
DFGin None 1 20.0% 9FT2A

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CMGC DYRK1A DYR1A_HUMAN 9FT2A 2.9 Inactive DFGin‑None in-in out-out nonTYR APEdihe_aaioi APEdist_iiii A1IE6 Type1 134 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 9FR9A 2.55 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE6 Type1 25 - 385 0 None None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 9FR9B 2.55 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE6 Type1 36 - 382 0 None None Glycogen synthase kinase-3 beta
STE MAP3K5 M3K5_HUMAN 4BIEA 2.36 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_iooi IE6 Type1 670 - 940 0 None T838E Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 4BIEB 2.36 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nooi IE6 Type1 670 - 941 0 None T838E Mitogen-activated protein kinase kinase kinase 5

Ligand: IE6

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 9FR9A
DFGin None 1 20.0% 9FT2A

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC DYRK1A DYR1A_HUMAN 9FT2A 2.9 Inactive DFGin‑None in-in out-out nonTYR APEdihe_aaioi APEdist_iiii A1IE6 Type1 134 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC GSK3B GSK3B_HUMAN 9FR9A 2.55 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE6 Type1 25 - 385 0 None None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 9FR9B 2.55 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE6 Type1 36 - 382 0 None None Glycogen synthase kinase-3 beta Homo sapiens
STE MAP3K5 M3K5_HUMAN 4BIEA 2.36 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_iooi IE6 Type1 670 - 940 0 None T838E Mitogen-activated protein kinase kinase kinase 5 Homo sapiens
STE MAP3K5 M3K5_HUMAN 4BIEB 2.36 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nooi IE6 Type1 670 - 941 0 None T838E Mitogen-activated protein kinase kinase kinase 5 Homo sapiens

Ligand: IE6

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 Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism