Ligand: BEZ

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 5WP1A
DFGin BLBtrans 1 20.0% 8UOJA

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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 MARK3 MARK3_HUMAN 8UOJA 1.6 Inactive DFGin‑BLBtrans out-out out-out nonTYR APEdihe_aaioi APEdist_oooi X5I, BEZ Type1, Allosteric 50 - 370 0 None I62L,L72R,V116I,G137K,F141Y,A146E MAP/microtubule affinity-regulating kinase 3
CMGC CSNK2A1 CSK21_HUMAN 6Q38A 1.74 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BEZ Type1 3 - 329 0 None R21S Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 6Q4QA 1.45 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BEZ Type1 3 - 329 0 None R21S Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 6Q4QB 1.45 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii BEZ Type1 3 - 329 0 None R21S Casein kinase II subunit alpha
CMGC MAPK1 MK01_HUMAN 5WP1A 1.4 Inactive DFGin‑BLAminus out-out in-out nonTYR APEdihe_aaiii APEdist_oiii B7S, BEZ Type1, Allosteric 15 - 357 0 None None Mitogen-activated protein kinase 1

Ligand: BEZ

Total number of chains: 8
Active chains: 4
Total number of genes: 6
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 87.5% 9TFWA
DFGin BLBtrans 1 12.5% 8UOJA

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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
CMGC CKA1 CSK21_ARATH 9TFXAAAA 1.7 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii IHP, BEZ Allosteric, Type1 78 - 409 0 None None Casein kinase II subunit alpha-1 Arabidopsis thaliana
CMGC CKA3 CSK23_ARATH 9TFWA 1.25 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BEZ Type1 2 - 333 0 None None Casein kinase II subunit alpha-3 Arabidopsis thaliana
AGC PRKACA KAPCA_CRIGR 6SNNA 1.817 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii BEZ Type1 13 - 351 0 SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus
CAMK MARK3 MARK3_HUMAN 8UOJA 1.6 Inactive DFGin‑BLBtrans out-out out-out nonTYR APEdihe_aaioi APEdist_oooi X5I, BEZ Type1, Allosteric 50 - 370 0 None I62L,L72R,V116I,G137K,F141Y,A146E MAP/microtubule affinity-regulating kinase 3 Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 6Q38A 1.74 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BEZ Type1 3 - 329 0 None R21S Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 6Q4QA 1.45 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BEZ Type1 3 - 329 0 None R21S Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 6Q4QB 1.45 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii BEZ Type1 3 - 329 0 None R21S Casein kinase II subunit alpha Homo sapiens
CMGC MAPK1 MK01_HUMAN 5WP1A 1.4 Inactive DFGin‑BLAminus out-out in-out nonTYR APEdihe_aaiii APEdist_oiii B7S, BEZ Type1, Allosteric 15 - 357 0 None None Mitogen-activated protein kinase 1 Homo sapiens

Ligand: BEZ

Total number of chains: 3
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 9TFWA

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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
CMGC CKA1 CSK21_ARATH 9TFXAAAA 1.7 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii IHP, BEZ Allosteric, Type1 78 - 409 0 None None Casein kinase II subunit alpha-1 Arabidopsis thaliana
CMGC CKA3 CSK23_ARATH 9TFWA 1.25 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii BEZ Type1 2 - 333 0 None None Casein kinase II subunit alpha-3 Arabidopsis thaliana
AGC PRKACA KAPCA_CRIGR 6SNNA 1.817 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii BEZ Type1 13 - 351 0 SEP140,TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Cricetulus griseus