Ligand: XA4

Total number of chains: 6
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 33.3% 9GHTA
DFGin BLBtrans 2 33.3% 7KY0D
DFGin BLBplus 1 16.7% 7KY0A
DFGin None 1 16.7% 7KY0C

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_label DFG-Asp_rotamer_label ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
TYR EGFR EGFR_HUMAN 7KXZA 2.4 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in TYR APEdihe_iiiai APEdist_aaai XA4 Type1 696 - 1017 0 None None Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 9GHTA 2.6 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in TYR APEdihe_iiiai APEdist_aaai XA4 Type1 697 - 1019 0 None None Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7KY0A 3.1 Inactive DFGin‑BLBplus DFGAsp-rot-in out-out out-none TYR APEdihe_nniai APEdist_aaai XA4 Type1 701 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7KY0B 3.1 Inactive DFGin‑BLBtrans DFGAsp-rot-in out-out out-out TYR APEdihe_nniai APEdist_aaao XA4 Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7KY0D 3.1 Inactive DFGin‑BLBtrans DFGAsp-rot-in out-out out-none TYR APEdihe_nniai APEdist_aaai XA4 Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7KY0C 3.1 Inactive DFGin‑None DFGAsp-rot-in out-out out-none TYR APEdihe_nniai APEdist_aaai XA4 Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor

Ligand: XA4

Total number of chains: 6
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 33.3% 9GHTA
DFGin BLBtrans 2 33.3% 7KY0D
DFGin BLBplus 1 16.7% 7KY0A
DFGin None 1 16.7% 7KY0C

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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_label DFG-Asp_rotamer_label ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
TYR EGFR EGFR_HUMAN 7KXZA 2.4 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in TYR APEdihe_iiiai APEdist_aaai XA4 Type1 696 - 1017 0 None None Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 9GHTA 2.6 Active DFGin‑BLAminus DFGAsp-rot-in in-in in-in TYR APEdihe_iiiai APEdist_aaai XA4 Type1 697 - 1019 0 None None Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7KY0A 3.1 Inactive DFGin‑BLBplus DFGAsp-rot-in out-out out-none TYR APEdihe_nniai APEdist_aaai XA4 Type1 701 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7KY0B 3.1 Inactive DFGin‑BLBtrans DFGAsp-rot-in out-out out-out TYR APEdihe_nniai APEdist_aaao XA4 Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7KY0D 3.1 Inactive DFGin‑BLBtrans DFGAsp-rot-in out-out out-none TYR APEdihe_nniai APEdist_aaai XA4 Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7KY0C 3.1 Inactive DFGin‑None DFGAsp-rot-in out-out out-none TYR APEdihe_nniai APEdist_aaai XA4 Type1 700 - 1007 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens

Ligand: XA4

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_label Spatial_Dihedral_label DFG-Asp_rotamer_label ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism