Ligand: BYL

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 7SUJA
All chains - renumbered by
Uniprot PDB Alignment

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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
CAMK CHEK1 CHK1_HUMAN 7SUJA O14757 9 271 476.0 BYL:301 Type1 Inactive DFGin 6.939 13.626 BLAminus -118.6, 167.38 74.89, 93.53 -107.57, 23.59 297.11, 81.28 -67.67, -15.39 in-out in 9.057 Saltbr-out 4.109 HRD-in -70.24, -40.44 73.4, -9.88 out-in-in SNCoii in-in ActLoopNT-in 3.173 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.12, 168.37 APE9-dihe-na 116.82, -153.6 APE8-dihe-in -125.53, 126.35 APE8-rot-in 298.09 APE67-dihe-in -67.17, -13.71 -45.66, -47.75 APE12-dist-in 8.965 APE11-dist-in 11.569 APE10-dist-in 6.122 APE9-dist-in 3.731 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.299 0.236 0.297 A 297 256 7 0 0 0 [[9, 265]] 1.0 7suj CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2 256 255 147 148 149 151 153 38 55 59 127 129 128 130 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 7SUJB O14757 9 271 476.0 BYL:301 Type1 Active DFGin 7.063 13.351 BLAminus -112.78, 164.5 67.33, 98.63 -107.71, 27.22 294.65, 84.19 -67.75, -27.67 in-in in 9.085 Saltbr-in 2.773 HRD-in -62.4, -45.85 74.76, 2.41 in-in-in SNCiii in-in ActLoopNT-in 3.119 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -162.97, 179.8 APE9-dihe-na 104.39, -157.62 APE8-dihe-in -121.39, 118.56 APE8-rot-in 300.57 APE67-dihe-in -61.22, -23.9 -41.31, -48.21 APE12-dist-in 9.069 APE11-dist-in 11.344 APE10-dist-in 6.076 APE9-dist-in 3.595 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.299 0.236 0.297 B 297 256 7 0 0 0 [[9, 265]] 1.0 7suj CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2 256 255 147 148 149 151 153 38 55 59 127 129 128 130 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
TYR EGFR EGFR_HUMAN 9NJ7A P00533 698 1017 1210.0 A1BYL:1201 Type1 None DFGin 6.064 15.618 BLAminus -139.58, -169.66 55.85, 84.13 -103.94, 33.72 294.22, 89.03 -68.52, -21.81 in-in in 8.785 Saltbr-in 2.695 HRD-in -73.41, -43.75 67.32, 4.02 in-in-none SNCiin in-none ActLoopNT-in 2.833 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 140.66 APE8-dihe-in -73.6, 99.04 APE8-rot-na 28.02 APE67-dihe-in -69.1, -11.18 -63.58, -37.14 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 6.492 None None None XRAY 2.53 0.233 0.281 A 327 266 30 0 0 15 [[712, 970]] 1.0 9nj7 TYR_EGFR_HUMAN TYR 1e-87 299.8 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

Ligand: BYL

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 7SUJA
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
CAMK CHEK1 CHK1_HUMAN 7SUJA O14757 9 271 476.0 BYL:301 Type1 Inactive DFGin 6.939 13.626 BLAminus -118.6, 167.38 74.89, 93.53 -107.57, 23.59 297.11, 81.28 -67.67, -15.39 in-out in 9.057 Saltbr-out 4.109 HRD-in -70.24, -40.44 73.4, -9.88 out-in-in SNCoii in-in ActLoopNT-in 3.173 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.12, 168.37 APE9-dihe-na 116.82, -153.6 APE8-dihe-in -125.53, 126.35 APE8-rot-in 298.09 APE67-dihe-in -67.17, -13.71 -45.66, -47.75 APE12-dist-in 8.965 APE11-dist-in 11.569 APE10-dist-in 6.122 APE9-dist-in 3.731 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.299 0.236 0.297 A 297 256 7 0 0 0 [[9, 265]] 1.0 7suj Homo sapiens CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2 256 255 147 148 149 151 153 38 55 59 127 129 128 130 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 7SUJB O14757 9 271 476.0 BYL:301 Type1 Active DFGin 7.063 13.351 BLAminus -112.78, 164.5 67.33, 98.63 -107.71, 27.22 294.65, 84.19 -67.75, -27.67 in-in in 9.085 Saltbr-in 2.773 HRD-in -62.4, -45.85 74.76, 2.41 in-in-in SNCiii in-in ActLoopNT-in 3.119 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -162.97, 179.8 APE9-dihe-na 104.39, -157.62 APE8-dihe-in -121.39, 118.56 APE8-rot-in 300.57 APE67-dihe-in -61.22, -23.9 -41.31, -48.21 APE12-dist-in 9.069 APE11-dist-in 11.344 APE10-dist-in 6.076 APE9-dist-in 3.595 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.299 0.236 0.297 B 297 256 7 0 0 0 [[9, 265]] 1.0 7suj Homo sapiens CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 2 256 255 147 148 149 151 153 38 55 59 127 129 128 130 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
TYR EGFR EGFR_HUMAN 9NJ7A P00533 698 1017 1210.0 A1BYL:1201 Type1 None DFGin 6.064 15.618 BLAminus -139.58, -169.66 55.85, 84.13 -103.94, 33.72 294.22, 89.03 -68.52, -21.81 in-in in 8.785 Saltbr-in 2.695 HRD-in -73.41, -43.75 67.32, 4.02 in-in-none SNCiin in-none ActLoopNT-in 2.833 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 140.66 APE8-dihe-in -73.6, 99.04 APE8-rot-na 28.02 APE67-dihe-in -69.1, -11.18 -63.58, -37.14 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 6.492 None None None XRAY 2.53 0.233 0.281 A 327 266 30 0 0 15 [[712, 970]] 1.0 9nj7 Homo sapiens TYR_EGFR_HUMAN TYR 1e-87 299.8 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

Ligand: BYL

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