Ligand: VX6 (Tozasertib)

Total number of chains: 12
Active chains: 1
Total number of genes: 7
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 33.3% 2F4JA
DFGinter None 4 33.3% 4ZOGA
DFGin ABAminus 3 25.0% 3AMBA
DFGout None 1 8.3% 4ZOGB
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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 3AMBA 2.25 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 4 - 351 0 SEP11,TPO198,SEP339 K48R,L96Q,M121L,V124A,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha
CAMK AURKA AURKA_HUMAN 3E5AA 2.3 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 125 - 389 0 TPO288 None Aurora kinase A
CAMK AURKA AURKA_HUMAN 4JBQA 2.3 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaioi APEdist_nnoo VX6 Type1 126 - 391 0 None T288D Aurora kinase A
CAMK AURKB AURKB_HUMAN 4AF3A 2.75 Inactive DFGinter‑None out-out none-none nonTYR APEdihe_aannn APEdist_nnnn VX6 Type1 70 - 338 0 None None Aurora kinase B
CAMK AURKC AURKC_HUMAN 6GR9A 2.25 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 37 - 305 0 TPO39,TPO198 None Aurora kinase C
TYR ABL1 ABL1_HUMAN 2F4JA 1.91 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 227 - 513 0 None H396P Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4ZOGA 2.3 Inactive DFGinter‑None out-out out-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 233 - 501 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4ZOGB 2.3 Inactive DFGout‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 234 - 503 0 None None Tyrosine-protein kinase ABL1
TYR ABL2 ABL2_HUMAN 2XYNA 2.81 None DFGin‑BLAminus in-none in-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 280 - 545 0 None None Tyrosine-protein kinase ABL2
TYR ABL2 ABL2_HUMAN 2XYNB 2.81 None DFGin‑BLAminus in-none in-in TYR APEdihe_iiiai APEdist_aaai VX6, VX6, VX6 Type1, Allosteric, Allosteric 280 - 545 0 None None Tyrosine-protein kinase ABL2
TYR ABL2 ABL2_HUMAN 2XYNC 2.81 None DFGin‑BLAminus in-none in-in TYR APEdihe_iiiai APEdist_aaai VX6, VX6, VX6 Type1, Allosteric, Allosteric 281 - 544 0 None None Tyrosine-protein kinase ABL2
TYR DDR1 DDR1_HUMAN 6BRJA 2.231 Inactive DFGinter‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 605 - 913 0 None None Epithelial discoidin domain-containing receptor 1

Ligand: VX6 (Tozasertib)

Total number of chains: 15
Active chains: 1
Total number of genes: 9
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 5 33.3% 4B8MA
DFGin BLAminus 5 33.3% 2F4JA
DFGinter None 4 26.7% 4ZOGA
DFGout None 1 6.7% 4ZOGB
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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 3AMBA 2.25 Inactive DFGin‑ABAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 4 - 351 0 SEP11,TPO198,SEP339 K48R,L96Q,M121L,V124A,Q182K,T184A cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
CAMK AURKA AURKA_HUMAN 3E5AA 2.3 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 125 - 389 0 TPO288 None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 4JBQA 2.3 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaioi APEdist_nnoo VX6 Type1 126 - 391 0 None T288D Aurora kinase A Homo sapiens
CAMK AURKB AURKB_HUMAN 4AF3A 2.75 Inactive DFGinter‑None out-out none-none nonTYR APEdihe_aannn APEdist_nnnn VX6 Type1 70 - 338 0 None None Aurora kinase B Homo sapiens
CAMK AURKC AURKC_HUMAN 6GR9A 2.25 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 37 - 305 0 TPO39,TPO198 None Aurora kinase C Homo sapiens
TYR ABL1 ABL1_HUMAN 2F4JA 1.91 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 227 - 513 0 None H396P Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 4ZOGA 2.3 Inactive DFGinter‑None out-out out-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 233 - 501 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 4ZOGB 2.3 Inactive DFGout‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 234 - 503 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL2 ABL2_HUMAN 2XYNA 2.81 None DFGin‑BLAminus in-none in-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 280 - 545 0 None None Tyrosine-protein kinase ABL2 Homo sapiens
TYR ABL2 ABL2_HUMAN 2XYNB 2.81 None DFGin‑BLAminus in-none in-in TYR APEdihe_iiiai APEdist_aaai VX6, VX6, VX6 Type1, Allosteric, Allosteric 280 - 545 0 None None Tyrosine-protein kinase ABL2 Homo sapiens
TYR ABL2 ABL2_HUMAN 2XYNC 2.81 None DFGin‑BLAminus in-none in-in TYR APEdihe_iiiai APEdist_aaai VX6, VX6, VX6 Type1, Allosteric, Allosteric 281 - 544 0 None None Tyrosine-protein kinase ABL2 Homo sapiens
TYR DDR1 DDR1_HUMAN 6BRJA 2.231 Inactive DFGinter‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai VX6 Type1 605 - 913 0 None None Epithelial discoidin domain-containing receptor 1 Homo sapiens
TKL RIPK4 RIPK4_MOUSE 5WNMA 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nnoo VX6 Type1 10 - 289 0 None D143N Receptor-interacting serine/threonine-protein kinase 4 Mus musculus
CAMK AURKBA AUKBA_XENLA 4B8MA 1.85 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 87 - 357 0 TPO248 None Aurora kinase B-A Xenopus laevis
CAMK AURKBA AUKBA_XENLA 4B8MB 1.85 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 78 - 357 0 TPO248 None Aurora kinase B-A Xenopus laevis

Ligand: VX6 (Tozasertib)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 4B8MA
DFGin BLAminus 1 33.3% 5WNMA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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
TKL RIPK4 RIPK4_MOUSE 5WNMA 2.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaooi APEdist_nnoo VX6 Type1 10 - 289 0 None D143N Receptor-interacting serine/threonine-protein kinase 4 Mus musculus
CAMK AURKBA AUKBA_XENLA 4B8MA 1.85 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 87 - 357 0 TPO248 None Aurora kinase B-A Xenopus laevis
CAMK AURKBA AUKBA_XENLA 4B8MB 1.85 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii VX6 Type1 78 - 357 0 TPO248 None Aurora kinase B-A Xenopus laevis