Ligand: SKE

Total number of chains: 13
Active chains: 2
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 46.2% 4QMUA
DFGin ABAminus 3 23.1% 5DT0A
DFGin None 3 23.1% 8B99A
None None 1 7.7% 5OBRA

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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 PRKACA KAPCA_HUMAN 3AMAA 1.75 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SKE Type1 2 - 351 0 SEP11,TPO198,SEP339 K48R,L96Q,M121L,V124A,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha
CAMK AURKA AURKA_HUMAN 5DPVA 2.285 Inactive DFGin‑ABAminus out-in in-out nonTYR APEdihe_aaiii APEdist_nnoo 5DN, SKE Allosteric, Type1 127 - 389 0 None T287A Aurora kinase A
CAMK AURKA AURKA_HUMAN 5DR6A 2.534 Inactive DFGin‑ABAminus out-in in-out nonTYR APEdihe_aaiii APEdist_nnoo 5E1, SKE Allosteric, Type1 127 - 390 0 None T287A Aurora kinase A
CAMK AURKA AURKA_HUMAN 5DT0A 2.15 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nnoo SKE Type1 127 - 390 0 None None Aurora kinase A
CAMK AURKA AURKA_HUMAN 5DR9A 2.47 Inactive DFGin‑BLAminus out-out out-out nonTYR APEdihe_aaiii APEdist_nnoo SKE, 5E2 Type1, Allosteric 127 - 390 0 None T287A Aurora kinase A
CAMK AURKA AURKA_HUMAN 5OBRA 2.62 Inactive None‑None out-out out-out nonTYR APEdihe_aaioi APEdist_nnno 9QT, SKE Allosteric, Type1 126 - 390 0 None None Aurora kinase A
STE STK24 STK24_HUMAN 4QMUA 1.546 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SKE Type1 24 - 310 0 TPO190 None Serine/threonine-protein kinase 24
TYR JAK2-2 JAK2_HUMAN 5USYA 2.0 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai SKE Type1 840 - 1130 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 5USYB 2.0 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai SKE Type1 840 - 1130 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6DRWA 2.303 Inactive DFGin‑BLAminus in-out in-none TYR APEdihe_nniai APEdist_aaai SKE Type1 840 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 8B99A 1.6 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao SKE Type1 536 - 809 0 None W777A,F794H Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 5WINA 2.38 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao SKE Type1 536 - 809 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 5USZA 2.103 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao SKE Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2

Ligand: SKE

Total number of chains: 13
Active chains: 2
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 46.2% 4QMUA
DFGin ABAminus 3 23.1% 5DT0A
DFGin None 3 23.1% 8B99A
None None 1 7.7% 5OBRA

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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
AGC PRKACA KAPCA_HUMAN 3AMAA 1.75 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SKE Type1 2 - 351 0 SEP11,TPO198,SEP339 K48R,L96Q,M121L,V124A,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
CAMK AURKA AURKA_HUMAN 5DPVA 2.285 Inactive DFGin‑ABAminus out-in in-out nonTYR APEdihe_aaiii APEdist_nnoo 5DN, SKE Allosteric, Type1 127 - 389 0 None T287A Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 5DR6A 2.534 Inactive DFGin‑ABAminus out-in in-out nonTYR APEdihe_aaiii APEdist_nnoo 5E1, SKE Allosteric, Type1 127 - 390 0 None T287A Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 5DT0A 2.15 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nnoo SKE Type1 127 - 390 0 None None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 5DR9A 2.47 Inactive DFGin‑BLAminus out-out out-out nonTYR APEdihe_aaiii APEdist_nnoo SKE, 5E2 Type1, Allosteric 127 - 390 0 None T287A Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 5OBRA 2.62 Inactive None‑None out-out out-out nonTYR APEdihe_aaioi APEdist_nnno 9QT, SKE Allosteric, Type1 126 - 390 0 None None Aurora kinase A Homo sapiens
STE STK24 STK24_HUMAN 4QMUA 1.546 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SKE Type1 24 - 310 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 5USYA 2.0 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai SKE Type1 840 - 1130 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 5USYB 2.0 None DFGin‑BLAminus in-in in-none TYR APEdihe_nniai APEdist_aaai SKE Type1 840 - 1130 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-2 JAK2_HUMAN 6DRWA 2.303 Inactive DFGin‑BLAminus in-out in-none TYR APEdihe_nniai APEdist_aaai SKE Type1 840 - 1131 0 PTR1007 None Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 8B99A 1.6 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao SKE Type1 536 - 809 0 None W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 5WINA 2.38 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao SKE Type1 536 - 809 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 5USZA 2.103 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao SKE Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: SKE

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