Ligand: 3RA

Total number of chains: 7
Active chains: 5
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 100.0% 4GW8A

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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
CAMK PIM1 PIM1_HUMAN 4GW8A 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 33 - 305 0 None R250G Serine/threonine-protein kinase pim-1
CMGC CLK3 CLK3_HUMAN 3RAWA 2.09 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 134 - 484 0 None None Dual specificity protein kinase CLK3
CMGC CLK3 CLK3_HUMAN 3RAWB 2.09 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_oiii 3RA Type1 136 - 484 0 None None Dual specificity protein kinase CLK3
CMGC DYRK1A DYR1A_HUMAN 4AZEA 3.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 132 - 481 0 SEP301,PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 4AZEB 3.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 135 - 481 0 SEP301,PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 4AZEC 3.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 132 - 481 0 SEP301,PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK2 DYRK2_HUMAN 4AZFA 2.55 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3RA Type1 146 - 536 0 PTR382,SEP458 None Dual specificity tyrosine-phosphorylation-regulated kinase 2

Ligand: 3RA

Total number of chains: 7
Active chains: 5
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 100.0% 4GW8A

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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
CAMK PIM1 PIM1_HUMAN 4GW8A 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 33 - 305 0 None R250G Serine/threonine-protein kinase pim-1 Homo sapiens
CMGC CLK3 CLK3_HUMAN 3RAWA 2.09 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 134 - 484 0 None None Dual specificity protein kinase CLK3 Homo sapiens
CMGC CLK3 CLK3_HUMAN 3RAWB 2.09 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_oiii 3RA Type1 136 - 484 0 None None Dual specificity protein kinase CLK3 Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 4AZEA 3.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 132 - 481 0 SEP301,PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 4AZEB 3.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 135 - 481 0 SEP301,PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 4AZEC 3.15 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3RA Type1 132 - 481 0 SEP301,PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK2 DYRK2_HUMAN 4AZFA 2.55 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3RA Type1 146 - 536 0 PTR382,SEP458 None Dual specificity tyrosine-phosphorylation-regulated kinase 2 Homo sapiens

Ligand: 3RA

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