Protein kinases in complex with VX6 (Tozasertib)

Total number of genes: 7
Total number of chains: 12
Spatial Dihedral Chains Representative
DFGin BLAminus 4 2F4JA
DFGin ABAminus 3 3AMBA
DFGinter None 4 4ZOGA
DFGout None 1 4ZOGB
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
AGC PRKACA KAPCA_HUMAN cAMP-dependent protein kinase catalytic subunit alpha 3AMBA 2.25 Inactive DFGin ABAminus in-in in-in VX6 Type1
CAMK AURKA AURKA_HUMAN Aurora kinase A 3E5AA 2.3 Inactive DFGin ABAminus out-out in-in VX6 Type1
CAMK AURKA AURKA_HUMAN Aurora kinase A 4JBQA 2.3 Inactive DFGinter None out-out out-out VX6 Type1
CAMK AURKB AURKB_HUMAN Aurora kinase B 4AF3A 2.75 Inactive DFGinter None out-out none-none VX6 Type1
CAMK AURKC AURKC_HUMAN Aurora kinase C 6GR9A 2.25 Inactive DFGin ABAminus out-out in-in VX6 Type1
TYR ABL1 ABL1_HUMAN Tyrosine-protein kinase ABL1 2F4JA 1.91 Active DFGin BLAminus in-in in-in VX6 Type1
TYR ABL1 ABL1_HUMAN Tyrosine-protein kinase ABL1 4ZOGA 2.3 Inactive DFGinter None out-out out-in VX6 Type1
TYR ABL1 ABL1_HUMAN Tyrosine-protein kinase ABL1 4ZOGB 2.3 Inactive DFGout None in-in out-in VX6 Type1
TYR ABL2 ABL2_HUMAN Tyrosine-protein kinase ABL2 2XYNA 2.81 None DFGin BLAminus in-none in-in VX6 Type1
TYR ABL2 ABL2_HUMAN Tyrosine-protein kinase ABL2 2XYNB 2.81 None DFGin BLAminus in-none in-in VX6 VX6 VX6 Type1 Allosteric Allosteric
TYR ABL2 ABL2_HUMAN Tyrosine-protein kinase ABL2 2XYNC 2.81 None DFGin BLAminus in-none in-in VX6 VX6 VX6 Type1 Allosteric Allosteric
TYR DDR1 DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 6BRJA 2.231 Inactive DFGinter None in-in out-in VX6 Type1

Protein kinases in complex with VX6

Total number of genes: 9
Total number of chains: 15
Spatial Dihedral Chains Representative
DFGin BLAminus 5 2F4JA
DFGin ABAminus 5 4B8MA
DFGinter None 4 4ZOGA
DFGout None 1 4ZOGB
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
Homo sapiens AGC PRKACA KAPCA_HUMAN cAMP-dependent protein kinase catalytic subunit alpha 3AMBA 2.25 Inactive DFGin ABAminus in-in in-in VX6 Type1
Homo sapiens CAMK AURKA AURKA_HUMAN Aurora kinase A 3E5AA 2.3 Inactive DFGin ABAminus out-out in-in VX6 Type1
Homo sapiens CAMK AURKA AURKA_HUMAN Aurora kinase A 4JBQA 2.3 Inactive DFGinter None out-out out-out VX6 Type1
Homo sapiens CAMK AURKB AURKB_HUMAN Aurora kinase B 4AF3A 2.75 Inactive DFGinter None out-out none-none VX6 Type1
Homo sapiens CAMK AURKC AURKC_HUMAN Aurora kinase C 6GR9A 2.25 Inactive DFGin ABAminus out-out in-in VX6 Type1
Homo sapiens TYR ABL1 ABL1_HUMAN Tyrosine-protein kinase ABL1 2F4JA 1.91 Active DFGin BLAminus in-in in-in VX6 Type1
Homo sapiens TYR ABL1 ABL1_HUMAN Tyrosine-protein kinase ABL1 4ZOGA 2.3 Inactive DFGinter None out-out out-in VX6 Type1
Homo sapiens TYR ABL1 ABL1_HUMAN Tyrosine-protein kinase ABL1 4ZOGB 2.3 Inactive DFGout None in-in out-in VX6 Type1
Homo sapiens TYR ABL2 ABL2_HUMAN Tyrosine-protein kinase ABL2 2XYNA 2.81 None DFGin BLAminus in-none in-in VX6 Type1
Homo sapiens TYR ABL2 ABL2_HUMAN Tyrosine-protein kinase ABL2 2XYNB 2.81 None DFGin BLAminus in-none in-in VX6 VX6 VX6 Type1 Allosteric Allosteric
Homo sapiens TYR ABL2 ABL2_HUMAN Tyrosine-protein kinase ABL2 2XYNC 2.81 None DFGin BLAminus in-none in-in VX6 VX6 VX6 Type1 Allosteric Allosteric
Homo sapiens TYR DDR1 DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 6BRJA 2.231 Inactive DFGinter None in-in out-in VX6 Type1
Mus musculus TKL RIPK4 RIPK4_MOUSE Receptor-interacting serine/threonine-protein kinase 4 5WNMA 2.6 Inactive DFGin BLAminus in-in in-out VX6 Type1
Xenopus laevis CAMK AURKBA AUKBA_XENLA Aurora kinase B-A 4B8MA 1.85 Inactive DFGin ABAminus out-out in-in VX6 Type1
Xenopus laevis CAMK AURKBA AUKBA_XENLA Aurora kinase B-A 4B8MB 1.85 Inactive DFGin ABAminus out-out in-in VX6 Type1

Protein kinases in complex with VX6

Total number of genes: 2
Total number of chains: 3
Spatial Dihedral Chains Representative
DFGin BLAminus 1 5WNMA
DFGin ABAminus 2 4B8MA
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
Mus musculus TKL RIPK4 RIPK4_MOUSE Receptor-interacting serine/threonine-protein kinase 4 5WNMA 2.6 Inactive DFGin BLAminus in-in in-out VX6 Type1
Xenopus laevis CAMK AURKBA AUKBA_XENLA Aurora kinase B-A 4B8MA 1.85 Inactive DFGin ABAminus out-out in-in VX6 Type1
Xenopus laevis CAMK AURKBA AUKBA_XENLA Aurora kinase B-A 4B8MB 1.85 Inactive DFGin ABAminus out-out in-in VX6 Type1