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
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 5Y9TA P00533 697 1020 1210.0 8RC:1101 Type1 Active DFGin 5.5906 14.9941 BLAminus -156.88, -164.94 47.09, 81.43 -95.95, 53.11 305.68, 71.53 -51.53, -46.6 in-in in 8.4178 Saltbr-in 2.8709 HRD-in -67.84, -48.53 70.09, 0.08 in-in-in SNCiii in-in ActLoopNT-in 2.7599 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -67.86, 138.76 APE9-dihe-in -150.48, 158.92 APE8-dihe-in -71.48, 121.98 APE8-rot-na 32.48 APE67-dihe-in -69.03, -24.42 -97.45, -47.49 APE12-dist-na 12.1529 APE11-dist-na 10.1748 APE10-dist-na 11.0536 APE9-dist-in 6.7364 T790M None None XRAY 3.25 0.197 0.24 A 333.0 300.0 2 30 30 0 [[712, 970]] 1.0 5y9t TYR_EGFR_HUMAN TYR 8.5e-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 7LG8B P00533 702 1002 1210.0 VNS:1101,8RC:1102 Type1.5_Front,Type1 Inactive DFGin 4.9185 14.7974 BLBplus -141.19, 170.16 49.38, 57.43 -105.85, 156.28 47.74, 86.43 72.05, 29.16 out-out out 13.8291 Saltbr-out 11.3991 HRD-in -68.62, -56.52 80.22, -7.8 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, 72.88 APE9-dihe-in -61.52, 127.34 APE8-dihe-in -70.71, 68.41 APE8-rot-na 28.03 APE67-dihe-in -75.05, -4.72 -60.67, -37.03 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 14.9385 APE9-dist-out 8.6761 T790M,V948R None None XRAY 2.93 0.237 0.27 B 331.0 275.0 15 30 15 15 [[712, 970]] 1.0 7lg8 TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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 7LG8A P00533 702 1006 1210.0 VNS:1101,8RC:1102 Type3,Type1 Inactive DFGin 4.6326 14.8436 BLBplus -140.27, 173.45 52.29, 60.01 -103.04, 154.16 45.73, 86.09 71.19, 28.15 out-out out 14.0135 Saltbr-out 11.7129 HRD-in -68.53, -55.23 80.07, -8.53 out-out-out SNCooo out-out ActLoopNT-out 9.2491 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 124.7 APE8-dihe-in -73.13, 67.89 APE8-rot-na 28.49 APE67-dihe-in -77.47, -4.15 -60.09, -40.28 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.2738 T790M,V948R None None XRAY 2.93 0.237 0.27 A 331.0 280.0 15 30 15 15 [[712, 970]] 1.0 7lg8 TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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 7LG8C P00533 703 1004 1210.0 VNS:1101,8RC:1102 Type3,Type1 Inactive DFGin 4.8325 14.7373 BLBplus -140.02, 171.29 50.44, 57.58 -106.29, 155.85 48.29, 87.01 71.42, 29.21 out-out out 13.2354 Saltbr-out 10.8834 HRD-in -68.15, -55.55 79.56, -8.95 out-out-out SNCooo out-out ActLoopNT-out 9.216 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 125.11 APE8-dihe-in -71.99, 68.12 APE8-rot-na 28.1 APE67-dihe-in -76.72, -3.4 -59.75, -39.52 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.3054 T790M,V948R None None XRAY 2.93 0.237 0.27 C 331.0 274.0 15 30 15 15 [[712, 970]] 1.0 7lg8 TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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 7LG8D P00533 702 1003 1210.0 VNS:1101,8RC:1102 Type3,Type1 Inactive DFGin 4.9265 15.1828 BLBplus -140.41, 172.1 51.47, 58.23 -106.49, 156.3 49.03, 86.93 72.22, 33.01 out-out out 13.7838 Saltbr-out 11.231 HRD-in -67.28, -53.4 81.73, -11.75 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 125.55 APE8-dihe-in -71.42, 69.12 APE8-rot-na 28.09 APE67-dihe-in -78.92, -4.05 -59.63, -41.22 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.4456 T790M,V948R None None XRAY 2.93 0.237 0.27 D 331.0 271.0 17 30 13 17 [[712, 970]] 1.0 7lg8 TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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: 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
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 5Y9TA P00533 697 1020 1210.0 8RC:1101 Type1 Active DFGin 5.5906 14.9941 BLAminus -156.88, -164.94 47.09, 81.43 -95.95, 53.11 305.68, 71.53 -51.53, -46.6 in-in in 8.4178 Saltbr-in 2.8709 HRD-in -67.84, -48.53 70.09, 0.08 in-in-in SNCiii in-in ActLoopNT-in 2.7599 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -67.86, 138.76 APE9-dihe-in -150.48, 158.92 APE8-dihe-in -71.48, 121.98 APE8-rot-na 32.48 APE67-dihe-in -69.03, -24.42 -97.45, -47.49 APE12-dist-na 12.1529 APE11-dist-na 10.1748 APE10-dist-na 11.0536 APE9-dist-in 6.7364 T790M None None XRAY 3.25 0.197 0.24 A 333.0 300.0 2 30 30 0 [[712, 970]] 1.0 5y9t Homo sapiens TYR_EGFR_HUMAN TYR 8.5e-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 7LG8B P00533 702 1002 1210.0 VNS:1101,8RC:1102 Type1.5_Front,Type1 Inactive DFGin 4.9185 14.7974 BLBplus -141.19, 170.16 49.38, 57.43 -105.85, 156.28 47.74, 86.43 72.05, 29.16 out-out out 13.8291 Saltbr-out 11.3991 HRD-in -68.62, -56.52 80.22, -7.8 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, 72.88 APE9-dihe-in -61.52, 127.34 APE8-dihe-in -70.71, 68.41 APE8-rot-na 28.03 APE67-dihe-in -75.05, -4.72 -60.67, -37.03 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 14.9385 APE9-dist-out 8.6761 T790M,V948R None None XRAY 2.93 0.237 0.27 B 331.0 275.0 15 30 15 15 [[712, 970]] 1.0 7lg8 Homo sapiens TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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 7LG8A P00533 702 1006 1210.0 VNS:1101,8RC:1102 Type3,Type1 Inactive DFGin 4.6326 14.8436 BLBplus -140.27, 173.45 52.29, 60.01 -103.04, 154.16 45.73, 86.09 71.19, 28.15 out-out out 14.0135 Saltbr-out 11.7129 HRD-in -68.53, -55.23 80.07, -8.53 out-out-out SNCooo out-out ActLoopNT-out 9.2491 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 124.7 APE8-dihe-in -73.13, 67.89 APE8-rot-na 28.49 APE67-dihe-in -77.47, -4.15 -60.09, -40.28 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.2738 T790M,V948R None None XRAY 2.93 0.237 0.27 A 331.0 280.0 15 30 15 15 [[712, 970]] 1.0 7lg8 Homo sapiens TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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 7LG8C P00533 703 1004 1210.0 VNS:1101,8RC:1102 Type3,Type1 Inactive DFGin 4.8325 14.7373 BLBplus -140.02, 171.29 50.44, 57.58 -106.29, 155.85 48.29, 87.01 71.42, 29.21 out-out out 13.2354 Saltbr-out 10.8834 HRD-in -68.15, -55.55 79.56, -8.95 out-out-out SNCooo out-out ActLoopNT-out 9.216 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 125.11 APE8-dihe-in -71.99, 68.12 APE8-rot-na 28.1 APE67-dihe-in -76.72, -3.4 -59.75, -39.52 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.3054 T790M,V948R None None XRAY 2.93 0.237 0.27 C 331.0 274.0 15 30 15 15 [[712, 970]] 1.0 7lg8 Homo sapiens TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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 7LG8D P00533 702 1003 1210.0 VNS:1101,8RC:1102 Type3,Type1 Inactive DFGin 4.9265 15.1828 BLBplus -140.41, 172.1 51.47, 58.23 -106.49, 156.3 49.03, 86.93 72.22, 33.01 out-out out 13.7838 Saltbr-out 11.231 HRD-in -67.28, -53.4 81.73, -11.75 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 125.55 APE8-dihe-in -71.42, 69.12 APE8-rot-na 28.09 APE67-dihe-in -78.92, -4.05 -59.63, -41.22 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.4456 T790M,V948R None None XRAY 2.93 0.237 0.27 D 331.0 271.0 17 30 13 17 [[712, 970]] 1.0 7lg8 Homo sapiens TYR_EGFR_HUMAN TYR 6.3e-88 300.5 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: 8RC (Naquotinib)

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