Ligand: HKI (Neratinib, Nerlynx)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 3W2QA
DFGin BLBplus 1 33.3% 2JIVB
DFGin None 1 33.3% 2JIVA
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 3W2QA P00533 698 1017 1210.0 HKI:61101 Type1.5_Front Inactive DFGin 6.184 16.72 BLAminus -130.59, -173.46 61.6, 82.75 -98.16, 22.05 287.41, 85.18 -65.26, -18.03 out-out out 10.536 Saltbr-out 5.753 HRD-in -77.64, -48.42 70.13, 4.48 out-in-in SNCoii in-in ActLoopNT-in 2.931 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -97.12, 121.01 APE9-dihe-in -124.15, 141.54 APE8-dihe-in -80.25, 75.51 APE8-rot-na 32.95 APE67-dihe-in -72.98, -8.46 -42.37, -46.09 APE12-dist-na 12.571 APE11-dist-na 10.333 APE10-dist-na 10.606 APE9-dist-in 7.01 T790M,L858R None None XRAY 2.2 0.177 0.2 A 331 306 0 0 0 0 [[712, 970]] 1.0 3w2q TYR_EGFR_HUMAN TYR 8.7e-87 296.8 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 2JIVB P00533 699 982 1210.0 HKI:1797 Type1.5_Back Inactive DFGin 5.077 13.748 BLBplus -147.04, -173.33 50.03, 19.5 -76.15, 164.05 47.98, 89.4 34.92, 16.92 out-out out 14.258 Saltbr-out 14.063 HRD-in -76.44, -8.74 29.89, 32.3 out-out-out SNCooo out-out ActLoopNT-out 6.582 ActLoopCT-out TYR APEdihe_ooiai APEdist_aaao APE10-dihe-out -61.7, 27.79 APE9-dihe-out -57.93, -177.94 APE8-dihe-in -111.79, 65.27 APE8-rot-na 347.45 APE67-dihe-in -88.48, -47.11 -56.32, 0.62 APE12-dist-na 15.291 APE11-dist-na 15.522 APE10-dist-na 14.783 APE9-dist-out 8.197 T790M None None XRAY 3.5 0.253 0.284 B 328 272 12 0 0 11 [[712, 970]] 1.0 2jiv TYR_EGFR_HUMAN TYR 8.1e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 2JIVA P00533 700 984 1210.0 HKI:1797 Type1.5_Back Inactive DFGin 5.403 14.133 None -99.08, 179.7 43.08, 110.41 179.69, 142.51 59.42, 1.67 76.47, 0.27 out-out out 13.396 Saltbr-out 10.108 HRD-in -70.42, -63.2 89.91, -17.22 out-out-none SNCoon out-none ActLoopNT-out 6.928 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, -38.75 APE9-dihe-in -107.53, 155.69 APE8-dihe-in -72.57, 63.91 APE8-rot-na 32.44 APE67-dihe-in -65.29, 3.74 -54.81, -43.49 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 14.932 APE9-dist-in 7.634 T790M None None XRAY 3.5 0.253 0.284 A 328 270 15 0 0 14 [[712, 970]] 1.0 2jiv TYR_EGFR_HUMAN TYR 8.1e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: HKI (Neratinib, Nerlynx)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 3W2QA
DFGin BLBplus 1 33.3% 2JIVB
DFGin None 1 33.3% 2JIVA
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 3W2QA P00533 698 1017 1210.0 HKI:61101 Type1.5_Front Inactive DFGin 6.184 16.72 BLAminus -130.59, -173.46 61.6, 82.75 -98.16, 22.05 287.41, 85.18 -65.26, -18.03 out-out out 10.536 Saltbr-out 5.753 HRD-in -77.64, -48.42 70.13, 4.48 out-in-in SNCoii in-in ActLoopNT-in 2.931 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -97.12, 121.01 APE9-dihe-in -124.15, 141.54 APE8-dihe-in -80.25, 75.51 APE8-rot-na 32.95 APE67-dihe-in -72.98, -8.46 -42.37, -46.09 APE12-dist-na 12.571 APE11-dist-na 10.333 APE10-dist-na 10.606 APE9-dist-in 7.01 T790M,L858R None None XRAY 2.2 0.177 0.2 A 331 306 0 0 0 0 [[712, 970]] 1.0 3w2q Homo sapiens TYR_EGFR_HUMAN TYR 8.7e-87 296.8 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 2JIVB P00533 699 982 1210.0 HKI:1797 Type1.5_Back Inactive DFGin 5.077 13.748 BLBplus -147.04, -173.33 50.03, 19.5 -76.15, 164.05 47.98, 89.4 34.92, 16.92 out-out out 14.258 Saltbr-out 14.063 HRD-in -76.44, -8.74 29.89, 32.3 out-out-out SNCooo out-out ActLoopNT-out 6.582 ActLoopCT-out TYR APEdihe_ooiai APEdist_aaao APE10-dihe-out -61.7, 27.79 APE9-dihe-out -57.93, -177.94 APE8-dihe-in -111.79, 65.27 APE8-rot-na 347.45 APE67-dihe-in -88.48, -47.11 -56.32, 0.62 APE12-dist-na 15.291 APE11-dist-na 15.522 APE10-dist-na 14.783 APE9-dist-out 8.197 T790M None None XRAY 3.5 0.253 0.284 B 328 272 12 0 0 11 [[712, 970]] 1.0 2jiv Homo sapiens TYR_EGFR_HUMAN TYR 8.1e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 2JIVA P00533 700 984 1210.0 HKI:1797 Type1.5_Back Inactive DFGin 5.403 14.133 None -99.08, 179.7 43.08, 110.41 179.69, 142.51 59.42, 1.67 76.47, 0.27 out-out out 13.396 Saltbr-out 10.108 HRD-in -70.42, -63.2 89.91, -17.22 out-out-none SNCoon out-none ActLoopNT-out 6.928 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, -38.75 APE9-dihe-in -107.53, 155.69 APE8-dihe-in -72.57, 63.91 APE8-rot-na 32.44 APE67-dihe-in -65.29, 3.74 -54.81, -43.49 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 14.932 APE9-dist-in 7.634 T790M None None XRAY 3.5 0.253 0.284 A 328 270 15 0 0 14 [[712, 970]] 1.0 2jiv Homo sapiens TYR_EGFR_HUMAN TYR 8.1e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: HKI (Neratinib, Nerlynx)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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