Ligand: AQ4 (Erlotinib, Tarceva)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 1M17A
DFGin BLBtrans 1 33.3% 4HJOA
DFGinter None 1 33.3% 9D5PA
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
TKL ILK ILK_HUMAN 9D5PA Q13418 182 452 452.0 AQ4:701 Type1 Pseudo DFGinter 8.061 7.428 None -85.71, 111.19 -68.8, -21.89 -73.77, -9.11 999.0, 999.0 -96.7, 8.17 out-out out 13.852 Saltbr-out 12.926 HRD-out 65.12, 30.52 -101.22, 117.74 out-out-out SNCooo out-out ActLoopNT-out 6.577 ActLoopCT-out nonTYR APEdihe_aaini APEdist_oioo APE10-dihe-na -117.02, 119.23 APE9-dihe-na -104.23, -7.77 APE8-dihe-in -133.36, 56.94 APE8-rot-none 999.0 APE67-dihe-in -63.3, -21.52 -64.96, -18.17 APE12-dist-out 15.043 APE11-dist-in 13.976 APE10-dist-out 12.889 APE9-dist-out 12.754 C346S,C422S None None XRAY 1.5 0.188 0.21 A 271 271 0 0 0 0 [[192, 448]] 1.0 9d5p TKL_ILK_HUMAN TKL 1.5e-62 217.5 3 267 265 336 337 338 340 342 220 238 242 316 318 317 319 374 359 354 353 352 351 350 349 348 270 Scaffold protein ILK
TYR EGFR EGFR_HUMAN 1M17A P00533 696 1019 1210.0 AQ4:60999 Type1 Inactive DFGin 5.986 14.85 BLAminus -146.67, -165.67 54.04, 80.71 -94.47, 20.74 294.26, 91.25 -51.66, -26.88 in-in in 8.652 Saltbr-in 3.053 HRD-in -22.63, -70.63 76.83, 0.59 in-in-out SNCiio in-out ActLoopNT-in 3.228 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -142.06, 19.04 APE9-dihe-in -100.5, 138.82 APE8-dihe-in -68.53, 114.83 APE8-rot-na 28.55 APE67-dihe-in -70.29, 3.79 -62.89, -39.72 APE12-dist-na 11.13 APE11-dist-na 11.463 APE10-dist-na 8.606 APE9-dist-in 5.972 None None None XRAY 2.6 0.253 0.295 A 333 312 0 0 0 0 [[712, 970]] 1.0 1m17 TYR_EGFR_HUMAN TYR 1.1e-87 299.7 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 4HJOA P00533 703 984 1210.0 AQ4:61001 Type1 Inactive DFGin 5.388 16.318 BLBtrans -124.68, 174.05 69.43, 22.17 -65.94, 132.43 169.63, 65.82 88.49, -10.45 out-out out 13.639 Saltbr-out 13.3 HRD-in -64.45, -47.69 77.22, -1.5 out-out-out SNCooo out-out ActLoopNT-out 6.744 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -74.38, 153.06 APE9-dihe-in -116.04, 141.68 APE8-dihe-in -81.16, 64.87 APE8-rot-na 343.76 APE67-dihe-in -72.42, -1.21 -62.83, -39.56 APE12-dist-na 16.454 APE11-dist-na 13.108 APE10-dist-na 13.885 APE9-dist-out 8.594 V948R None None XRAY 2.75 0.231 0.253 A 337 278 4 0 0 0 [[712, 970]] 1.0 4hjo TYR_EGFR_HUMAN TYR 8.7e-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: AQ4 (Erlotinib, Tarceva)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 1M17A
DFGin BLBtrans 1 33.3% 4HJOA
DFGinter None 1 33.3% 9D5PA
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
TKL ILK ILK_HUMAN 9D5PA Q13418 182 452 452.0 AQ4:701 Type1 Pseudo DFGinter 8.061 7.428 None -85.71, 111.19 -68.8, -21.89 -73.77, -9.11 999.0, 999.0 -96.7, 8.17 out-out out 13.852 Saltbr-out 12.926 HRD-out 65.12, 30.52 -101.22, 117.74 out-out-out SNCooo out-out ActLoopNT-out 6.577 ActLoopCT-out nonTYR APEdihe_aaini APEdist_oioo APE10-dihe-na -117.02, 119.23 APE9-dihe-na -104.23, -7.77 APE8-dihe-in -133.36, 56.94 APE8-rot-none 999.0 APE67-dihe-in -63.3, -21.52 -64.96, -18.17 APE12-dist-out 15.043 APE11-dist-in 13.976 APE10-dist-out 12.889 APE9-dist-out 12.754 C346S,C422S None None XRAY 1.5 0.188 0.21 A 271 271 0 0 0 0 [[192, 448]] 1.0 9d5p Homo sapiens TKL_ILK_HUMAN TKL 1.5e-62 217.5 3 267 265 336 337 338 340 342 220 238 242 316 318 317 319 374 359 354 353 352 351 350 349 348 270 Scaffold protein ILK
TYR EGFR EGFR_HUMAN 1M17A P00533 696 1019 1210.0 AQ4:60999 Type1 Inactive DFGin 5.986 14.85 BLAminus -146.67, -165.67 54.04, 80.71 -94.47, 20.74 294.26, 91.25 -51.66, -26.88 in-in in 8.652 Saltbr-in 3.053 HRD-in -22.63, -70.63 76.83, 0.59 in-in-out SNCiio in-out ActLoopNT-in 3.228 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -142.06, 19.04 APE9-dihe-in -100.5, 138.82 APE8-dihe-in -68.53, 114.83 APE8-rot-na 28.55 APE67-dihe-in -70.29, 3.79 -62.89, -39.72 APE12-dist-na 11.13 APE11-dist-na 11.463 APE10-dist-na 8.606 APE9-dist-in 5.972 None None None XRAY 2.6 0.253 0.295 A 333 312 0 0 0 0 [[712, 970]] 1.0 1m17 Homo sapiens TYR_EGFR_HUMAN TYR 1.1e-87 299.7 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 4HJOA P00533 703 984 1210.0 AQ4:61001 Type1 Inactive DFGin 5.388 16.318 BLBtrans -124.68, 174.05 69.43, 22.17 -65.94, 132.43 169.63, 65.82 88.49, -10.45 out-out out 13.639 Saltbr-out 13.3 HRD-in -64.45, -47.69 77.22, -1.5 out-out-out SNCooo out-out ActLoopNT-out 6.744 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -74.38, 153.06 APE9-dihe-in -116.04, 141.68 APE8-dihe-in -81.16, 64.87 APE8-rot-na 343.76 APE67-dihe-in -72.42, -1.21 -62.83, -39.56 APE12-dist-na 16.454 APE11-dist-na 13.108 APE10-dist-na 13.885 APE9-dist-out 8.594 V948R None None XRAY 2.75 0.231 0.253 A 337 278 4 0 0 0 [[712, 970]] 1.0 4hjo Homo sapiens TYR_EGFR_HUMAN TYR 8.7e-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: AQ4 (Erlotinib, Tarceva)

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