Ligand: AQ4 (Erlotinib)

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
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
TKL ILK ILK_HUMAN 9D5PA Q13418 182 452 452.0 AQ4:701 Type1 Pseudo DFGinter 8.0612 7.4282 None -85.71, 111.19 -68.8, -21.89 -73.77, -9.11 999.0, 999.0 -96.7, 8.17 out-out out 13.8525 Saltbr-out 12.9257 HRD-out 65.12, 30.52 -101.22, 117.74 out-out-out SNCooo out-out ActLoopNT-out 6.5767 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 15.0432 APE11-dist-in 13.9756 APE10-dist-out 12.8893 APE9-dist-out 12.7539 C346S,C422S None None XRAY 1.5 0.188 0.21 A 271.0 271.0 0 23 23 0 [[192, 448]] 1.0 9d5p TKL_ILK_HUMAN TKL 1.5e-62 217.5 3.0 267.0 265.0 336 337 338 340 342 220 238 242 316 318 317 319.0 374 359 354 353 352 351 350 349 348 270 Scaffold protein ILK
TYR EGFR EGFR_HUMAN 1M17A P00533 696 1019 1210.0 AQ4:60999 Type1 Inactive DFGin 5.986 14.8496 BLAminus -146.67, -165.67 54.04, 80.71 -94.47, 20.74 294.26, 91.25 -51.66, -26.88 in-in in 8.6519 Saltbr-in 3.0526 HRD-in -22.63, -70.63 76.83, 0.59 in-in-out SNCiio in-out ActLoopNT-in 3.2284 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 11.1305 APE11-dist-na 11.4635 APE10-dist-na 8.6061 APE9-dist-in 5.9718 None None None XRAY 2.6 0.253 0.295 A 333.0 312.0 0 30 30 0 [[712, 970]] 1.0 1m17 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 4HJOA P00533 703 984 1210.0 AQ4:61001 Type1 Inactive DFGin 5.388 16.3176 BLBtrans -124.68, 174.05 69.43, 22.17 -65.94, 132.43 169.63, 65.82 88.49, -10.45 out-out out 13.6385 Saltbr-out 13.3001 HRD-in -64.45, -47.69 77.22, -1.5 out-out-out SNCooo out-out ActLoopNT-out 6.7443 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 16.4541 APE11-dist-na 13.1083 APE10-dist-na 13.8847 APE9-dist-out 8.594 V948R None None XRAY 2.75 0.231 0.253 A 337.0 278.0 4 30 30 0 [[712, 970]] 1.0 4hjo TYR_EGFR_HUMAN TYR 8.7e-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: AQ4 (Erlotinib)

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
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
TKL ILK ILK_HUMAN 9D5PA Q13418 182 452 452.0 AQ4:701 Type1 Pseudo DFGinter 8.0612 7.4282 None -85.71, 111.19 -68.8, -21.89 -73.77, -9.11 999.0, 999.0 -96.7, 8.17 out-out out 13.8525 Saltbr-out 12.9257 HRD-out 65.12, 30.52 -101.22, 117.74 out-out-out SNCooo out-out ActLoopNT-out 6.5767 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 15.0432 APE11-dist-in 13.9756 APE10-dist-out 12.8893 APE9-dist-out 12.7539 C346S,C422S None None XRAY 1.5 0.188 0.21 A 271.0 271.0 0 23 23 0 [[192, 448]] 1.0 9d5p Homo sapiens TKL_ILK_HUMAN TKL 1.5e-62 217.5 3.0 267.0 265.0 336 337 338 340 342 220 238 242 316 318 317 319.0 374 359 354 353 352 351 350 349 348 270 Scaffold protein ILK
TYR EGFR EGFR_HUMAN 1M17A P00533 696 1019 1210.0 AQ4:60999 Type1 Inactive DFGin 5.986 14.8496 BLAminus -146.67, -165.67 54.04, 80.71 -94.47, 20.74 294.26, 91.25 -51.66, -26.88 in-in in 8.6519 Saltbr-in 3.0526 HRD-in -22.63, -70.63 76.83, 0.59 in-in-out SNCiio in-out ActLoopNT-in 3.2284 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 11.1305 APE11-dist-na 11.4635 APE10-dist-na 8.6061 APE9-dist-in 5.9718 None None None XRAY 2.6 0.253 0.295 A 333.0 312.0 0 30 30 0 [[712, 970]] 1.0 1m17 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 4HJOA P00533 703 984 1210.0 AQ4:61001 Type1 Inactive DFGin 5.388 16.3176 BLBtrans -124.68, 174.05 69.43, 22.17 -65.94, 132.43 169.63, 65.82 88.49, -10.45 out-out out 13.6385 Saltbr-out 13.3001 HRD-in -64.45, -47.69 77.22, -1.5 out-out-out SNCooo out-out ActLoopNT-out 6.7443 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 16.4541 APE11-dist-na 13.1083 APE10-dist-na 13.8847 APE9-dist-out 8.594 V948R None None XRAY 2.75 0.231 0.253 A 337.0 278.0 4 30 30 0 [[712, 970]] 1.0 4hjo Homo sapiens TYR_EGFR_HUMAN TYR 8.7e-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: AQ4 (Erlotinib)

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