Ligand: NIL (Nilotinib)

Total number of chains: 7
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 5 71.4% 3CS9A
DFGout None 2 28.6% 9CJ1A
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
CMGC MAPK11 MK11_HUMAN 3GP0A 1.9 Inactive DFGout‑BBAminus in-out none-out nonTYR APEdihe_aaoii APEdist_nnno NIL Type2 5 - 348 0 None None Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 9CJ1A 1.8 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaooi APEdist_nnno NIL Type2 5 - 351 0 TPO180,PTR182 None Mitogen-activated protein kinase 14
TYR ABL1 ABL1_HUMAN 3CS9A 2.21 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai NIL Type2 233 - 500 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9B 2.21 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nnnai APEdist_aaan NIL Type2 233 - 500 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9C 2.21 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nnnai APEdist_aaan NIL Type2 232 - 497 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 3CS9D 2.21 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai NIL Type2 233 - 500 0 None None Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 5MO4A 2.17 Inactive DFGout‑None in-in none-out TYR APEdihe_nnoai APEdist_aaao NIL, AY7 Type2, Allosteric 64 - 512 0 None None Tyrosine-protein kinase ABL1

Ligand: NIL (Nilotinib)

Total number of chains: 7
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 5 71.4% 3CS9A
DFGout None 2 28.6% 9CJ1A
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
CMGC MAPK11 MK11_HUMAN 3GP0A 1.9 Inactive DFGout‑BBAminus in-out none-out nonTYR APEdihe_aaoii APEdist_nnno NIL Type2 5 - 348 0 None None Mitogen-activated protein kinase 11 Homo sapiens
CMGC MAPK14 MK14_HUMAN 9CJ1A 1.8 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaooi APEdist_nnno NIL Type2 5 - 351 0 TPO180,PTR182 None Mitogen-activated protein kinase 14 Homo sapiens
TYR ABL1 ABL1_HUMAN 3CS9A 2.21 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai NIL Type2 233 - 500 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3CS9B 2.21 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nnnai APEdist_aaan NIL Type2 233 - 500 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3CS9C 2.21 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nnnai APEdist_aaan NIL Type2 232 - 497 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 3CS9D 2.21 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai NIL Type2 233 - 500 0 None None Tyrosine-protein kinase ABL1 Homo sapiens
TYR ABL1 ABL1_HUMAN 5MO4A 2.17 Inactive DFGout‑None in-in none-out TYR APEdihe_nnoai APEdist_aaao NIL, AY7 Type2, Allosteric 64 - 512 0 None None Tyrosine-protein kinase ABL1 Homo sapiens

Ligand: NIL (Nilotinib)

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