Ligand: 6GY (Brigatinib)

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 8H7XA
DFGin ABAminus 1 25.0% 6MX8A

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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
TYR ALK ALK_HUMAN 6MX8A 1.96 Inactive DFGin‑ABAminus in-in none-out TYR APEdihe_oiiai APEdist_aaao 6GY Type1 1094 - 1400 0 None None ALK tyrosine kinase receptor
TYR EGFR EGFR_HUMAN 8H7XA 3.404 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6GY Type1 697 - 1019 0 None T790M,C797S Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7ZYMA 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6GY Type1 696 - 1020 0 None T790M,C797S,E865A,E866A,K867A Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7AEMA 2.65 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6GY Type1 695 - 1018 0 None None Epidermal growth factor receptor

Ligand: 6GY (Brigatinib)

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 8H7XA
DFGin ABAminus 1 25.0% 6MX8A

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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
TYR ALK ALK_HUMAN 6MX8A 1.96 Inactive DFGin‑ABAminus in-in none-out TYR APEdihe_oiiai APEdist_aaao 6GY Type1 1094 - 1400 0 None None ALK tyrosine kinase receptor Homo sapiens
TYR EGFR EGFR_HUMAN 8H7XA 3.404 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6GY Type1 697 - 1019 0 None T790M,C797S Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7ZYMA 2.5 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6GY Type1 696 - 1020 0 None T790M,C797S,E865A,E866A,K867A Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7AEMA 2.65 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 6GY Type1 695 - 1018 0 None None Epidermal growth factor receptor Homo sapiens

Ligand: 6GY (Brigatinib)

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