Ligand: AN2

Total number of chains: 7
Active chains: 4
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 100.0% 4YHJA

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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
AGC GRK4 GRK4_HUMAN 4YHJA 2.6 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 25 - 525 0 None C563S,C578S G protein-coupled receptor kinase 4
AGC GRK4 GRK4_HUMAN 4YHJB 2.6 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 25 - 527 0 None C563S,C578S G protein-coupled receptor kinase 4
CAMK DCLK1 DCLK1_HUMAN 5JZJA 1.71 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 374 - 648 0 None None Serine/threonine-protein kinase DCLK1
CAMK DCLK1 DCLK1_HUMAN 5JZJB 1.71 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 382 - 648 0 None None Serine/threonine-protein kinase DCLK1
CMGC MAPK1 MK01_HUMAN 8PSTA 1.9 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaioi APEdist_nnno AN2, DC6 ATPlike, Allosteric 11 - 358 0 None None Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_HUMAN 8PSWA 2.0 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_nioo AN2, D2I ATPlike, Allosteric 11 - 358 0 None None Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_HUMAN 8PSYA 2.55 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaioi APEdist_oioo AN2, EI0 ATPlike, Allosteric 11 - 358 0 None None Mitogen-activated protein kinase 1

Ligand: AN2

Total number of chains: 11
Active chains: 5
Total number of genes: 6
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 8 72.7% 5H9BA
DFGin None 3 27.3% 4BWPA

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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 CAMKII KCC2A_DROME 5H9BA 2.25 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 7 - 275 0 None None Calcium/calmodulin-dependent protein kinase type II alpha chain Drosophila melanogaster
OTHER PAN3 PAN3_DROME 4BWPA 3.6 Pseudo DFGin‑None out-na out-na noAPE APEdihe_aaaaa APEdist_aaaa AN2 ATPlike 379 - 787 0 None None PAN2-PAN3 deadenylation complex subunit PAN3 Drosophila melanogaster
OTHER PAN3 PAN3_DROME 4BWPB 3.6 Pseudo DFGin‑None out-na out-na noAPE APEdihe_aaaaa APEdist_aaaa AN2 ATPlike 379 - 787 0 None None PAN2-PAN3 deadenylation complex subunit PAN3 Drosophila melanogaster
AGC GRK4 GRK4_HUMAN 4YHJA 2.6 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 25 - 525 0 None C563S,C578S G protein-coupled receptor kinase 4 Homo sapiens
AGC GRK4 GRK4_HUMAN 4YHJB 2.6 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 25 - 527 0 None C563S,C578S G protein-coupled receptor kinase 4 Homo sapiens
CAMK DCLK1 DCLK1_HUMAN 5JZJA 1.71 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 374 - 648 0 None None Serine/threonine-protein kinase DCLK1 Homo sapiens
CAMK DCLK1 DCLK1_HUMAN 5JZJB 1.71 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 382 - 648 0 None None Serine/threonine-protein kinase DCLK1 Homo sapiens
CMGC MAPK1 MK01_HUMAN 8PSTA 1.9 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaioi APEdist_nnno AN2, DC6 ATPlike, Allosteric 11 - 358 0 None None Mitogen-activated protein kinase 1 Homo sapiens
CMGC MAPK1 MK01_HUMAN 8PSWA 2.0 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiii APEdist_nioo AN2, D2I ATPlike, Allosteric 11 - 358 0 None None Mitogen-activated protein kinase 1 Homo sapiens
CMGC MAPK1 MK01_HUMAN 8PSYA 2.55 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaioi APEdist_oioo AN2, EI0 ATPlike, Allosteric 11 - 358 0 None None Mitogen-activated protein kinase 1 Homo sapiens
OTHER PINK1 PINK1_TRICA 7MP9A 2.8 Inactive DFGin‑None in-in in-in nonTYR APEdihe_aaiai APEdist_iiii AN2 ATPlike 121 - 568 0 SEP205,TPO530 None Serine/threonine-protein kinase Pink1, mitochondrial Tribolium castaneum

Ligand: AN2

Total number of chains: 4
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 75.0% 4BWPA
DFGin BLAminus 1 25.0% 5H9BA

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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 CAMKII KCC2A_DROME 5H9BA 2.25 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii AN2 ATPlike 7 - 275 0 None None Calcium/calmodulin-dependent protein kinase type II alpha chain Drosophila melanogaster
OTHER PAN3 PAN3_DROME 4BWPA 3.6 Pseudo DFGin‑None out-na out-na noAPE APEdihe_aaaaa APEdist_aaaa AN2 ATPlike 379 - 787 0 None None PAN2-PAN3 deadenylation complex subunit PAN3 Drosophila melanogaster
OTHER PAN3 PAN3_DROME 4BWPB 3.6 Pseudo DFGin‑None out-na out-na noAPE APEdihe_aaaaa APEdist_aaaa AN2 ATPlike 379 - 787 0 None None PAN2-PAN3 deadenylation complex subunit PAN3 Drosophila melanogaster
OTHER PINK1 PINK1_TRICA 7MP9A 2.8 Inactive DFGin‑None in-in in-in nonTYR APEdihe_aaiai APEdist_iiii AN2 ATPlike 121 - 568 0 SEP205,TPO530 None Serine/threonine-protein kinase Pink1, mitochondrial Tribolium castaneum