Protein kinases in complex with 3NG (Silmitasertib)

Total number of genes: 10
Total number of chains: 26
Spatial Dihedral Chains Representative
DFGin BLAminus 24 6HMBA
DFGin ABAminus 1 6KHDC
DFGin None 1 6KHDA
All chains
Pymol session(ver 2.3) Pymol script
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv
Group Gene UniprotID Protein PDB Resolu Activity Label Spatial Label Dihedral Label Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type
CAMK PIM1 PIM1_HUMAN Serine/threonine-protein kinase pim-1 5O11A 2.4 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CLK1 CLK1_HUMAN Dual specificity protein kinase CLK1 6KHDC 2.7 Inactive DFGin ABAminus in-in in-out 3NG Type1
CMGC CLK1 CLK1_HUMAN Dual specificity protein kinase CLK1 6KHDB 2.7 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CLK1 CLK1_HUMAN Dual specificity protein kinase CLK1 6KHDA 2.7 Inactive DFGin None in-in in-none 3NG Type1
CMGC CLK2 CLK2_HUMAN Dual specificity protein kinase CLK2 6FYLA 1.95 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CLK2 CLK2_HUMAN Dual specificity protein kinase CLK2 6KHEA 2.8 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CLK3 CLK3_HUMAN Dual specificity protein kinase CLK3 6FYPA 2.29 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CLK3 CLK3_HUMAN Dual specificity protein kinase CLK3 6KHFA 2.598 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CLK4 CLK4_HUMAN Dual specificity protein kinase CLK4 6FYVA 2.46 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CSNK2A1 CSK21_HUMAN Casein kinase II subunit alpha 3NGAA 2.71 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CSNK2A1 CSK21_HUMAN Casein kinase II subunit alpha 3NGAB 2.71 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CSNK2A1 CSK21_HUMAN Casein kinase II subunit alpha 3PE1A 1.6 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC CSNK2A2 CSK22_HUMAN Casein kinase II subunit alpha' 8QBUA 1.09 Active DFGin BLAminus in-in in-in 42J 3NG Allosteric Type1
CMGC CSNK2A2 CSK22_HUMAN Casein kinase II subunit alpha' 6HMBA 1.04 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NA 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NB 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NC 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5ND 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NE 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NF 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NG 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NH 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC GSK3B GSK3B_HUMAN Glycogen synthase kinase-3 beta 7Z1FA 3.0 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC GSK3B GSK3B_HUMAN Glycogen synthase kinase-3 beta 7Z1FB 3.0 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC GSK3B GSK3B_HUMAN Glycogen synthase kinase-3 beta 7Z1GA 2.85 Active DFGin BLAminus in-in in-in 3NG Type1
CMGC HIPK2 HIPK2_HUMAN Homeodomain-interacting protein kinase 2 6P5SA 2.194 Active DFGin BLAminus in-in in-in 3NG Type1

Protein kinases in complex with 3NG

Total number of genes: 11
Total number of chains: 27
Spatial Dihedral Chains Representative
DFGin BLAminus 25 6HMBA
DFGin ABAminus 1 6KHDC
DFGin None 1 6KHDA
All chains
Pymol session(ver 2.3) Pymol script
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv
Organism Group Gene UniprotID Protein PDB Resolu Activity Label Spatial Label Dihedral Label Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type
Cryptococcus neoformans CMGC CKA1 J9VNH4_CRYNH CMGC/CK2 protein kinase 6K3LB 2.09 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CAMK PIM1 PIM1_HUMAN Serine/threonine-protein kinase pim-1 5O11A 2.4 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CLK1 CLK1_HUMAN Dual specificity protein kinase CLK1 6KHDC 2.7 Inactive DFGin ABAminus in-in in-out 3NG Type1
Homo sapiens CMGC CLK1 CLK1_HUMAN Dual specificity protein kinase CLK1 6KHDB 2.7 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CLK1 CLK1_HUMAN Dual specificity protein kinase CLK1 6KHDA 2.7 Inactive DFGin None in-in in-none 3NG Type1
Homo sapiens CMGC CLK2 CLK2_HUMAN Dual specificity protein kinase CLK2 6FYLA 1.95 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CLK2 CLK2_HUMAN Dual specificity protein kinase CLK2 6KHEA 2.8 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CLK3 CLK3_HUMAN Dual specificity protein kinase CLK3 6FYPA 2.29 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CLK3 CLK3_HUMAN Dual specificity protein kinase CLK3 6KHFA 2.598 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CLK4 CLK4_HUMAN Dual specificity protein kinase CLK4 6FYVA 2.46 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CSNK2A1 CSK21_HUMAN Casein kinase II subunit alpha 3NGAA 2.71 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CSNK2A1 CSK21_HUMAN Casein kinase II subunit alpha 3NGAB 2.71 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CSNK2A1 CSK21_HUMAN Casein kinase II subunit alpha 3PE1A 1.6 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC CSNK2A2 CSK22_HUMAN Casein kinase II subunit alpha' 8QBUA 1.09 Active DFGin BLAminus in-in in-in 42J 3NG Allosteric Type1
Homo sapiens CMGC CSNK2A2 CSK22_HUMAN Casein kinase II subunit alpha' 6HMBA 1.04 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NA 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NB 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NC 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5ND 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NE 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NF 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NG 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC DYRK1A DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A 7Z5NH 2.77 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC GSK3B GSK3B_HUMAN Glycogen synthase kinase-3 beta 7Z1FA 3.0 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC GSK3B GSK3B_HUMAN Glycogen synthase kinase-3 beta 7Z1FB 3.0 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC GSK3B GSK3B_HUMAN Glycogen synthase kinase-3 beta 7Z1GA 2.85 Active DFGin BLAminus in-in in-in 3NG Type1
Homo sapiens CMGC HIPK2 HIPK2_HUMAN Homeodomain-interacting protein kinase 2 6P5SA 2.194 Active DFGin BLAminus in-in in-in 3NG Type1

Protein kinases in complex with 3NG

Total number of genes: 1
Total number of chains: 1
Spatial Dihedral Chains Representative
DFGin BLAminus 1 6K3LB
All chains
Pymol session(ver 2.3) Pymol script
All chains - renumbered by
Uniprot PDB Alignment
Database table as tsv

Organism Group Gene UniprotID Protein PDB Resolu Activity Label Spatial Label Dihedral Label Chelix-SaltBridge ActLoopNT-ActLoopCT Ligand Type
Cryptococcus neoformans CMGC CKA1 J9VNH4_CRYNH CMGC/CK2 protein kinase 6K3LB 2.09 Active DFGin BLAminus in-in in-in 3NG Type1