Ligand: 8RC (Naquotinib)

Total number of chains: 5
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 80.0% 7LG8B
DFGin BLAminus 1 20.0% 5Y9TA

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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 5Y9TA 3.25 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 8RC Type1 697 - 1020 0 None T790M Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7LG8B 2.93 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_niiai APEdist_aaao VNS, 8RC Type1.5_Front, Type1 702 - 1002 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7LG8A 2.93 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_nniai APEdist_aaao VNS, 8RC Type3, Type1 702 - 1006 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7LG8C 2.93 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_nniai APEdist_aaao VNS, 8RC Type3, Type1 703 - 1004 0 None T790M,V948R Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7LG8D 2.93 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao VNS, 8RC Type3, Type1 702 - 1003 0 None T790M,V948R Epidermal growth factor receptor

Ligand: 8RC (Naquotinib)

Total number of chains: 5
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 80.0% 7LG8B
DFGin BLAminus 1 20.0% 5Y9TA

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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 5Y9TA 3.25 Active DFGin‑BLAminus in-in in-in TYR APEdihe_iiiai APEdist_aaai 8RC Type1 697 - 1020 0 None T790M Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7LG8B 2.93 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_niiai APEdist_aaao VNS, 8RC Type1.5_Front, Type1 702 - 1002 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7LG8A 2.93 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_nniai APEdist_aaao VNS, 8RC Type3, Type1 702 - 1006 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7LG8C 2.93 Inactive DFGin‑BLBplus out-out out-out TYR APEdihe_nniai APEdist_aaao VNS, 8RC Type3, Type1 703 - 1004 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens
TYR EGFR EGFR_HUMAN 7LG8D 2.93 Inactive DFGin‑BLBplus out-out none-out TYR APEdihe_nniai APEdist_aaao VNS, 8RC Type3, Type1 702 - 1003 0 None T790M,V948R Epidermal growth factor receptor Homo sapiens

Ligand: 8RC (Naquotinib)

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