Ligand: YY3 (Osimertinib)

Total number of chains: 19
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 13 68.4% 7JXWC
DFGin BLAminus 5 26.3% 6JX0A
DFGin BLBtrans 1 5.3% 6JXTA

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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 6JX4A 2.531 None DFGin‑BLAminus in-in in-none TYR APEdihe_niiai APEdist_aaai YY3 Type1 696 - 1018 0 None T790M Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 6LUDA 2.05 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai YY3 Type1 696 - 1018 0 None T790M,C797S,L858R,E865A,E866A,K867A Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4ZAUA 2.8 None DFGin‑BLAminus in-in in-none TYR APEdihe_niiai APEdist_aaai YY3 Type1 698 - 1017 0 None None Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 6JWLA 2.551 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai YY3 Type1 696 - 1020 0 None L858R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 6JX0A 2.53 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai YY3, YY3 Type1, Allosteric 701 - 989 0 None T790M Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXMB 2.192 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai YY3, 9LL Type1, Type3 701 - 1012 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXWA 2.5 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXWB 2.5 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nnnai APEdist_aaan YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXWC 2.5 Inactive DFGin‑BLBplus out-out out-none TYR APEdihe_nniai APEdist_aaai YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXWD 2.5 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXPC 2.16 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai JBJ, YY3 Type3, Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7JXPE 2.16 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai JBJ, YY3 Type3, Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7K1HA 2.602 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7K1HB 2.602 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai VNS, YY3 Type3, Type1 701 - 1008 0 None L858R,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7K1HC 2.602 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7K1HD 2.602 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_nniai APEdist_aaao VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7K1HE 2.602 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai VNS, YY3 Type3, Type1 703 - 1007 0 None L858R,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7K1HF 2.602 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 6JXTA 2.307 Inactive DFGin‑BLBtrans out-out out-in TYR APEdihe_iiiai APEdist_aaai YY3 Type1 697 - 984 0 None E865A,E866A,K867A Epidermal growth factor receptor

Ligand: YY3 (Osimertinib)

Total number of chains: 19
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 13 68.4% 7JXWC
DFGin BLAminus 5 26.3% 6JX0A
DFGin BLBtrans 1 5.3% 6JXTA

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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 6JX4A 2.531 None DFGin‑BLAminus in-in in-none TYR APEdihe_niiai APEdist_aaai YY3 Type1 696 - 1018 0 None T790M Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 6LUDA 2.05 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai YY3 Type1 696 - 1018 0 None T790M,C797S,L858R,E865A,E866A,K867A Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 4ZAUA 2.8 None DFGin‑BLAminus in-in in-none TYR APEdihe_niiai APEdist_aaai YY3 Type1 698 - 1017 0 None None Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 6JWLA 2.551 Inactive DFGin‑BLAminus in-in in-out TYR APEdihe_oiiai APEdist_aaai YY3 Type1 696 - 1020 0 None L858R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 6JX0A 2.53 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai YY3, YY3 Type1, Allosteric 701 - 989 0 None T790M Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXMB 2.192 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai YY3, 9LL Type1, Type3 701 - 1012 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXWA 2.5 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXWB 2.5 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nnnai APEdist_aaan YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXWC 2.5 Inactive DFGin‑BLBplus out-out out-none TYR APEdihe_nniai APEdist_aaai YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXWD 2.5 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao YY3, VNS Type1, Type3 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXPC 2.16 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai JBJ, YY3 Type3, Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7JXPE 2.16 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai JBJ, YY3 Type3, Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7K1HA 2.602 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7K1HB 2.602 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai VNS, YY3 Type3, Type1 701 - 1008 0 None L858R,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7K1HC 2.602 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7K1HD 2.602 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_nniai APEdist_aaao VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7K1HE 2.602 Inactive DFGin‑BLBplus out-out none-none TYR APEdihe_nniai APEdist_aaai VNS, YY3 Type3, Type1 703 - 1007 0 None L858R,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7K1HF 2.602 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao VNS, YY3 Type3, Type1 701 - 1007 0 None L858R,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 6JXTA 2.307 Inactive DFGin‑BLBtrans out-out out-in TYR APEdihe_iiiai APEdist_aaai YY3 Type1 697 - 984 0 None E865A,E866A,K867A Epidermal growth factor receptor Homo sapiens

Ligand: YY3 (Osimertinib)

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