Ligand: DKI

Total number of chains: 9
Active chains: 3
Total number of genes: 8
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 55.6% 2CHLA
DFGinter None 2 22.2% 3HMIA
DFGin BLBminus 1 11.1% 4AAAA
None None 1 11.1% 2W4OA

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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 CAMK4 KCC4_HUMAN 2W4OA 2.17 Inactive None‑None none-none none-out nonTYR APEdihe_aaioi APEdist_nnno DKI Type1 34 - 337 0 None None Calcium/calmodulin-dependent protein kinase type IV
CK1 CSNK1G3 KC1G3_HUMAN 2CHLA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii DKI Type1 36 - 333 0 None None Casein kinase I isoform gamma-3
CMGC CDKL2 CDKL2_HUMAN 4AAAA 1.53 Inactive DFGin‑BLBminus out-none none-out nonTYR APEdihe_aaiii APEdist_nooo DKI Type1 1 - 302 0 None T159D,Y161E Cyclin-dependent kinase-like 2
CMGC CLK3 CLK3_HUMAN 2WU6A 1.92 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii DKI Type1 134 - 483 0 None None Dual specificity protein kinase CLK3
STE SLK SLK_HUMAN 2J51A 2.1 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiio APEdist_oooo DKI Type1 21 - 308 0 None None STE20-like serine/threonine-protein kinase
STE SLK SLK_HUMAN 2JFLA 2.2 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiio APEdist_oooo DKI Type1 21 - 308 0 TPO183,SEP189 None STE20-like serine/threonine-protein kinase
STE STK24 STK24_HUMAN 4QMPA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii DKI Type1 18 - 310 0 TPO190 None Serine/threonine-protein kinase 24
STE STK26 STK26_HUMAN 4FZFB 3.64 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaioi APEdist_iioo DKI Type1 18 - 297 0 None D162A Serine/threonine-protein kinase 26
TYR ABL2 ABL2_HUMAN 3HMIA 1.65 Inactive DFGinter‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai DKI Type1 279 - 546 0 None None Tyrosine-protein kinase ABL2

Ligand: DKI

Total number of chains: 11
Active chains: 3
Total number of genes: 9
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 63.6% 2CHLA
DFGinter None 2 18.2% 3HMIA
DFGin BLBminus 1 9.1% 4AAAA
None None 1 9.1% 2W4OA

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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 CAMK4 KCC4_HUMAN 2W4OA 2.17 Inactive None‑None none-none none-out nonTYR APEdihe_aaioi APEdist_nnno DKI Type1 34 - 337 0 None None Calcium/calmodulin-dependent protein kinase type IV Homo sapiens
CK1 CSNK1G3 KC1G3_HUMAN 2CHLA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii DKI Type1 36 - 333 0 None None Casein kinase I isoform gamma-3 Homo sapiens
CMGC CDKL2 CDKL2_HUMAN 4AAAA 1.53 Inactive DFGin‑BLBminus out-none none-out nonTYR APEdihe_aaiii APEdist_nooo DKI Type1 1 - 302 0 None T159D,Y161E Cyclin-dependent kinase-like 2 Homo sapiens
CMGC CLK3 CLK3_HUMAN 2WU6A 1.92 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii DKI Type1 134 - 483 0 None None Dual specificity protein kinase CLK3 Homo sapiens
STE SLK SLK_HUMAN 2J51A 2.1 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiio APEdist_oooo DKI Type1 21 - 308 0 None None STE20-like serine/threonine-protein kinase Homo sapiens
STE SLK SLK_HUMAN 2JFLA 2.2 Inactive DFGin‑BLAminus in-out in-out nonTYR APEdihe_aaiio APEdist_oooo DKI Type1 21 - 308 0 TPO183,SEP189 None STE20-like serine/threonine-protein kinase Homo sapiens
STE STK24 STK24_HUMAN 4QMPA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii DKI Type1 18 - 310 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
STE STK26 STK26_HUMAN 4FZFB 3.64 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaioi APEdist_iioo DKI Type1 18 - 297 0 None D162A Serine/threonine-protein kinase 26 Homo sapiens
TYR ABL2 ABL2_HUMAN 3HMIA 1.65 Inactive DFGinter‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai DKI Type1 279 - 546 0 None None Tyrosine-protein kinase ABL2 Homo sapiens
OTHER IRE1 IRE1_YEAST 3LJ1A 3.33 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanni APEdist_nnnn DKI Type1 665 - 1115 0 SEP840,SEP841,TPO844 None Serine/threonine-protein kinase/endoribonuclease IRE1 Saccharomyces cerevisiae
OTHER IRE1 IRE1_YEAST 3LJ1B 3.33 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanni APEdist_nnnn DKI Type1 665 - 1115 0 SEP840,SEP841,TPO844 None Serine/threonine-protein kinase/endoribonuclease IRE1 Saccharomyces cerevisiae

Ligand: DKI

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3LJ1A

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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 IRE1 IRE1_YEAST 3LJ1A 3.33 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanni APEdist_nnnn DKI Type1 665 - 1115 0 SEP840,SEP841,TPO844 None Serine/threonine-protein kinase/endoribonuclease IRE1 Saccharomyces cerevisiae
OTHER IRE1 IRE1_YEAST 3LJ1B 3.33 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanni APEdist_nnnn DKI Type1 665 - 1115 0 SEP840,SEP841,TPO844 None Serine/threonine-protein kinase/endoribonuclease IRE1 Saccharomyces cerevisiae