Ligand: 1C9 (Dacomitinib)

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBtrans 2 66.7% 4I24B
DFGin BLAminus 1 33.3% 4I23A

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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 EGFR EGFR_HUMAN 4I23A 2.8 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 1C9 Type1 695 - 1018 0 None None Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4I24A 1.8 Inactive DFGin‑BLBtrans out-out out-out TYR APEdihe_nniai APEdist_aaao 1C9 Type1 700 - 1014 0 None T790M Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4I24B 1.8 Inactive DFGin‑BLBtrans out-out out-out TYR APEdihe_oiiai APEdist_aaai 1C9 Type1 700 - 1014 0 None T790M Epidermal growth factor receptor

Ligand: 1C9 (Dacomitinib)

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBtrans 2 66.7% 4I24B
DFGin BLAminus 1 33.3% 4I23A

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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 EGFR EGFR_HUMAN 4I23A 2.8 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 1C9 Type1 695 - 1018 0 None None Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 4I24A 1.8 Inactive DFGin‑BLBtrans out-out out-out TYR APEdihe_nniai APEdist_aaao 1C9 Type1 700 - 1014 0 None T790M Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 4I24B 1.8 Inactive DFGin‑BLBtrans out-out out-out TYR APEdihe_oiiai APEdist_aaai 1C9 Type1 700 - 1014 0 None T790M Epidermal growth factor receptor Homo sapiens

Ligand: 1C9 (Dacomitinib)

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