Ligand: 35R

Total number of chains: 8
Active chains: 2
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 50.0% 5UT0A
DFGin BLAminus 2 25.0% 4QMMA
DFGinter None 2 25.0% 6CPGD

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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 5N23A 2.088 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 35R Type1 9 - 351 0 SEP11,SEP140,TPO198,SEP339 K48R,L96Q,M121L,V124A,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha
CAMK AURKA AURKA_HUMAN 6CPGA 2.8 Inactive DFGinter‑None out-out none-out nonTYR APEdihe_aaoni APEdist_nnoo 35R Type1 127 - 387 0 None None Aurora kinase A
CAMK AURKA AURKA_HUMAN 6CPGD 2.8 Inactive DFGinter‑None out-out none-out nonTYR APEdihe_aaooi APEdist_nooo 35R Type1 127 - 388 0 None None Aurora kinase A
STE STK24 STK24_HUMAN 4QMMA 1.852 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 35R Type1 18 - 309 0 TPO190 None Serine/threonine-protein kinase 24
TYR JAK2-1 JAK2_HUMAN 6D2IA 3.192 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 536 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 6D2IB 3.192 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 5WIMA 2.55 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 536 - 809 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2
TYR JAK2-1 JAK2_HUMAN 5UT0A 2.102 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2

Ligand: 35R

Total number of chains: 8
Active chains: 2
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 50.0% 5UT0A
DFGin BLAminus 2 25.0% 4QMMA
DFGinter None 2 25.0% 6CPGD

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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 5N23A 2.088 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 35R Type1 9 - 351 0 SEP11,SEP140,TPO198,SEP339 K48R,L96Q,M121L,V124A,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
CAMK AURKA AURKA_HUMAN 6CPGA 2.8 Inactive DFGinter‑None out-out none-out nonTYR APEdihe_aaoni APEdist_nnoo 35R Type1 127 - 387 0 None None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 6CPGD 2.8 Inactive DFGinter‑None out-out none-out nonTYR APEdihe_aaooi APEdist_nooo 35R Type1 127 - 388 0 None None Aurora kinase A Homo sapiens
STE STK24 STK24_HUMAN 4QMMA 1.852 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 35R Type1 18 - 309 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 6D2IA 3.192 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 536 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 6D2IB 3.192 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 5WIMA 2.55 Pseudo DFGin‑None out-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 536 - 809 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens
TYR JAK2-1 JAK2_HUMAN 5UT0A 2.102 Pseudo DFGin‑None in-na out-out TYR APEdihe_oooao APEdist_aaao 35R Type1 537 - 808 0 None W659A,W777A,F794H Tyrosine-protein kinase JAK2 Homo sapiens

Ligand: 35R

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