Ligand: EMH (Alectinib)

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 3AOXA
DFGin BLAminus 1 50.0% 5XV7A

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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 SRPK1 SRPK1_HUMAN 5XV7A 2.32 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii EMH Type1 67 - 655 0 None None SRSF protein kinase 1
TYR ALK ALK_HUMAN 3AOXA 1.75 Inactive DFGin‑ABAminus in-in out-out TYR APEdihe_oiiai APEdist_aaai EMH Type1 1086 - 1401 0 None None ALK tyrosine kinase receptor

Ligand: EMH (Alectinib)

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 3AOXA
DFGin BLAminus 1 50.0% 5XV7A

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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 SRPK1 SRPK1_HUMAN 5XV7A 2.32 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii EMH Type1 67 - 655 0 None None SRSF protein kinase 1 Homo sapiens
TYR ALK ALK_HUMAN 3AOXA 1.75 Inactive DFGin‑ABAminus in-in out-out TYR APEdihe_oiiai APEdist_aaai EMH Type1 1086 - 1401 0 None None ALK tyrosine kinase receptor Homo sapiens

Ligand: EMH (Alectinib)

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

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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