Ligand: AD5

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8EX1A
DFGin ABAminus 1 33.3% 5LJJA

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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
OTHER TTK TTK_HUMAN 5LJJA 3.0 Inactive DFGin‑ABAminus out-out out-out nonTYR APEdihe_aaoii APEdist_oooo AD5 Type1 519 - 795 0 None C604Y Dual specificity protein kinase TTK
TYR JAK2-1 JAK2_HUMAN 8BAKA 1.65 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao AD5 Type1 536 - 809 0 None W777A,F794H Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8EX1A 1.5 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao AD5 Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2

Ligand: AD5

Total number of chains: 5
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 60.0% 2VGOA
DFGin None 2 40.0% 8EX1A

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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
OTHER TTK TTK_HUMAN 5LJJA 3.0 Inactive DFGin‑ABAminus out-out out-out nonTYR APEdihe_aaoii APEdist_oooo AD5 Type1 519 - 795 0 None C604Y Dual specificity protein kinase TTK Homo sapiens
TYR JAK2-1 JAK2_HUMAN 8BAKA 1.65 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao AD5 Type1 536 - 809 0 None W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 8EX1A 1.5 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao AD5 Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
CAMK AURKBA AUKBA_XENLA 2VGOA 1.7 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii AD5 Type1 87 - 355 0 TPO248 None Aurora kinase B-A Xenopus laevis
CAMK AURKBA AUKBA_XENLA 2VGOB 1.7 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii AD5 Type1 78 - 357 0 TPO248 None Aurora kinase B-A Xenopus laevis

Ligand: AD5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 2VGOA

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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 AURKBA AUKBA_XENLA 2VGOA 1.7 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii AD5 Type1 87 - 355 0 TPO248 None Aurora kinase B-A Xenopus laevis
CAMK AURKBA AUKBA_XENLA 2VGOB 1.7 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii AD5 Type1 78 - 357 0 TPO248 None Aurora kinase B-A Xenopus laevis