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
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
TYR EGFR EGFR_HUMAN 4I23A P00533 695 1018 1210.0 1C9:9001 Type1 Active DFGin 5.8307 14.7993 BLAminus -136.95, -174.22 62.68, 72.46 -94.9, 21.34 301.95, 95.75 -66.8, 22.74 in-in in 8.7375 Saltbr-in 2.7847 HRD-in -56.19, -44.26 64.75, 4.02 in-in-in SNCiii in-in ActLoopNT-in 2.8338 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -70.49, 132.64 APE9-dihe-in -135.81, 134.69 APE8-dihe-in -75.01, 107.02 APE8-rot-na 32.25 APE67-dihe-in -70.4, -28.14 -84.36, -22.76 APE12-dist-na 12.2191 APE11-dist-na 10.3883 APE10-dist-na 10.9266 APE9-dist-in 6.7743 None None None XRAY 2.8 0.229 0.279 A 329.0 304.0 5 30 30 0 [[712, 970]] 1.0 4i23 TYR_EGFR_HUMAN TYR 1.1e-87 299.7 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4I24A P00533 700 1014 1210.0 1C9:9001 Type1 Inactive DFGin 5.6606 16.4459 BLBtrans -124.79, -177.97 65.95, 19.32 -65.94, 134.77 167.42, 77.24 100.69, -25.94 out-out out 13.7753 Saltbr-out 12.8294 HRD-in -83.3, -47.74 80.82, -14.46 out-out-out SNCooo out-out ActLoopNT-out 6.5542 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 124.29 APE8-dihe-in -74.66, 58.68 APE8-rot-na 28.63 APE67-dihe-in -76.18, -6.25 -49.37, -41.47 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.3057 T790M None None XRAY 1.8 0.21 0.239 A 329.0 295.0 20 30 17 13 [[712, 970]] 1.0 4i24 TYR_EGFR_HUMAN TYR 8.2e-88 300.1 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4I24B P00533 700 1014 1210.0 1C9:9001 Type1 Inactive DFGin 5.5382 16.5017 BLBtrans -127.49, -179.81 73.27, 11.54 -60.91, 132.74 167.82, 75.33 94.21, -14.75 out-out out 14.0101 Saltbr-out 12.5658 HRD-in -82.33, -49.07 80.92, -16.04 out-out-out SNCooo out-out ActLoopNT-out 6.7499 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -77.49, -14.51 APE9-dihe-in -107.27, 109.9 APE8-dihe-in -79.94, 72.64 APE8-rot-na 30.26 APE67-dihe-in -75.43, -3.71 -52.62, -43.52 APE12-dist-na 999.0 APE11-dist-na 13.8101 APE10-dist-na 9.9034 APE9-dist-in 7.4893 T790M None None XRAY 1.8 0.21 0.239 B 329.0 304.0 11 30 19 11 [[712, 970]] 1.0 4i24 TYR_EGFR_HUMAN TYR 8.2e-88 300.1 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 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
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
TYR EGFR EGFR_HUMAN 4I23A P00533 695 1018 1210.0 1C9:9001 Type1 Active DFGin 5.8307 14.7993 BLAminus -136.95, -174.22 62.68, 72.46 -94.9, 21.34 301.95, 95.75 -66.8, 22.74 in-in in 8.7375 Saltbr-in 2.7847 HRD-in -56.19, -44.26 64.75, 4.02 in-in-in SNCiii in-in ActLoopNT-in 2.8338 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -70.49, 132.64 APE9-dihe-in -135.81, 134.69 APE8-dihe-in -75.01, 107.02 APE8-rot-na 32.25 APE67-dihe-in -70.4, -28.14 -84.36, -22.76 APE12-dist-na 12.2191 APE11-dist-na 10.3883 APE10-dist-na 10.9266 APE9-dist-in 6.7743 None None None XRAY 2.8 0.229 0.279 A 329.0 304.0 5 30 30 0 [[712, 970]] 1.0 4i23 Homo sapiens TYR_EGFR_HUMAN TYR 1.1e-87 299.7 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4I24A P00533 700 1014 1210.0 1C9:9001 Type1 Inactive DFGin 5.6606 16.4459 BLBtrans -124.79, -177.97 65.95, 19.32 -65.94, 134.77 167.42, 77.24 100.69, -25.94 out-out out 13.7753 Saltbr-out 12.8294 HRD-in -83.3, -47.74 80.82, -14.46 out-out-out SNCooo out-out ActLoopNT-out 6.5542 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 124.29 APE8-dihe-in -74.66, 58.68 APE8-rot-na 28.63 APE67-dihe-in -76.18, -6.25 -49.37, -41.47 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.3057 T790M None None XRAY 1.8 0.21 0.239 A 329.0 295.0 20 30 17 13 [[712, 970]] 1.0 4i24 Homo sapiens TYR_EGFR_HUMAN TYR 8.2e-88 300.1 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 4I24B P00533 700 1014 1210.0 1C9:9001 Type1 Inactive DFGin 5.5382 16.5017 BLBtrans -127.49, -179.81 73.27, 11.54 -60.91, 132.74 167.82, 75.33 94.21, -14.75 out-out out 14.0101 Saltbr-out 12.5658 HRD-in -82.33, -49.07 80.92, -16.04 out-out-out SNCooo out-out ActLoopNT-out 6.7499 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -77.49, -14.51 APE9-dihe-in -107.27, 109.9 APE8-dihe-in -79.94, 72.64 APE8-rot-na 30.26 APE67-dihe-in -75.43, -3.71 -52.62, -43.52 APE12-dist-na 999.0 APE11-dist-na 13.8101 APE10-dist-na 9.9034 APE9-dist-in 7.4893 T790M None None XRAY 1.8 0.21 0.239 B 329.0 304.0 11 30 19 11 [[712, 970]] 1.0 4i24 Homo sapiens TYR_EGFR_HUMAN TYR 8.2e-88 300.1 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

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
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name