Ligand: 627 (Danusertib)

Total number of chains: 10
Active chains: 4
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 50.0% 4QO9A
DFGinter None 4 40.0% 8SSOA
DFGin BLBminus 1 10.0% 5I9ZA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 AURKA AURKA_HUMAN 8SSPA 2.6 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii PDO, 627 Allosteric, Type1 126 - 389 0 None None Aurora kinase A
CAMK AURKA AURKA_HUMAN 2J50A 3.0 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_oooo 627 Type1 128 - 389 0 None None Aurora kinase A
CAMK AURKA AURKA_HUMAN 2J50B 3.0 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_oooo 627 Type1 128 - 389 0 None None Aurora kinase A
CAMK AURKA AURKA_HUMAN 8SSOA 1.97 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_nooo 627 Type1 127 - 389 0 None None Aurora kinase A
CAMK AURKA AURKA_HUMAN 8SSOD 1.97 Inactive DFGinter‑None out-out out-none nonTYR APEdihe_aanii APEdist_nnnn 627 Type1 127 - 389 0 None None Aurora kinase A
STE STK24 STK24_HUMAN 4QO9A 2.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 627 Type1 30 - 310 0 TPO190 None Serine/threonine-protein kinase 24
STE STK24 STK24_HUMAN 4QO9B 2.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 627 Type1 25 - 310 0 TPO190 None Serine/threonine-protein kinase 24
TYR ABL1 ABL1_HUMAN 2V7AA 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 627 Type1 233 - 503 0 PTR393 T315I Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 2V7AB 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 627 Type1 234 - 503 0 PTR393 T315I Tyrosine-protein kinase ABL1
TYR EPHA2 EPHA2_HUMAN 5I9ZA 1.698 Inactive DFGin‑BLBminus in-in out-none TYR APEdihe_nniai APEdist_aaai 627 Type1 604 - 896 0 None None Ephrin type-A receptor 2

Ligand: 627 (Danusertib)

Total number of chains: 10
Active chains: 4
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 50.0% 4QO9A
DFGinter None 4 40.0% 8SSOA
DFGin BLBminus 1 10.0% 5I9ZA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 AURKA AURKA_HUMAN 8SSPA 2.6 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii PDO, 627 Allosteric, Type1 126 - 389 0 None None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2J50A 3.0 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_oooo 627 Type1 128 - 389 0 None None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 2J50B 3.0 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_oooo 627 Type1 128 - 389 0 None None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 8SSOA 1.97 Inactive DFGinter‑None out-out out-out nonTYR APEdihe_aaoii APEdist_nooo 627 Type1 127 - 389 0 None None Aurora kinase A Homo sapiens
CAMK AURKA AURKA_HUMAN 8SSOD 1.97 Inactive DFGinter‑None out-out out-none nonTYR APEdihe_aanii APEdist_nnnn 627 Type1 127 - 389 0 None None Aurora kinase A Homo sapiens
STE STK24 STK24_HUMAN 4QO9A 2.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 627 Type1 30 - 310 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
STE STK24 STK24_HUMAN 4QO9B 2.2 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 627 Type1 25 - 310 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TYR ABL1 ABL1_HUMAN 2V7AA 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 627 Type1 233 - 503 0 PTR393 T315I Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 2V7AB 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 627 Type1 234 - 503 0 PTR393 T315I Tyrosine-protein kinase ABL1 Homo sapiens
TYR EPHA2 EPHA2_HUMAN 5I9ZA 1.698 Inactive DFGin‑BLBminus in-in out-none TYR APEdihe_nniai APEdist_aaai 627 Type1 604 - 896 0 None None Ephrin type-A receptor 2 Homo sapiens

Ligand: 627 (Danusertib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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