Ligand: DTQ

Total number of chains: 5
Active chains: 2
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 6U0KB
DFGin BLBplus 1 20.0% 1DI8A
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
CK1 TTBK1 TTBK1_HUMAN 4BTKA Q5TCY1 22 311 1321.0 DTQ:61337 Type1.5_Back Inactive DFGin 5.4717 12.8127 BLAminus -121.56, 166.57 53.63, 97.12 -99.35, 18.48 304.76, 110.89 -59.84, -26.48 in-in in 7.207 Saltbr-in 2.7729 HRD-in -77.94, -50.73 70.91, -2.54 in-in-out SNCiio in-out ActLoopNT-in 2.8487 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -104.79, -26.19 APE9-dihe-na -66.74, -163.96 APE8-dihe-in -90.09, 140.06 APE8-rot-out 123.33 APE67-dihe-in -50.85, -41.59 -63.33, -48.74 APE12-dist-in 11.8309 APE11-dist-in 10.5368 APE10-dist-in 6.3834 APE9-dist-in 4.5617 None None None XRAY 2.0 0.192 0.249 A 337.0 287.0 3 34 34 0 [[34, 295]] 1.0 4btk CK1_TTBK1_HUMAN CK1 5.7e-105 356.4 1.0 262.0 262.0 175 176 177 179 181 63 77 81 151 153 152 154.0 221 209 204 203 202 201 200 199 198 108 Tau-tubulin kinase 1
CK1 TTBK2 TTBK2_HUMAN 6U0KA Q6IQ55 8 298 1244.0 DTQ:302 Type1 Active DFGin 5.4455 13.0064 BLAminus -119.74, 158.68 65.44, 93.77 -97.5, 16.58 303.39, 115.2 -64.55, -24.48 in-in in 7.3634 Saltbr-in 2.6861 HRD-in -77.31, -47.61 69.33, 3.91 in-in-in SNCiii in-in ActLoopNT-in 2.8535 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.86, 126.44 APE9-dihe-na 120.4, -155.7 APE8-dihe-in -106.9, 129.29 APE8-rot-in 301.05 APE67-dihe-in -61.62, -36.39 -57.04, -41.68 APE12-dist-in 11.6476 APE11-dist-in 11.5741 APE10-dist-in 6.085 APE9-dist-in 3.8654 None None None XRAY 1.744 0.193 0.233 A 300.0 290.0 1 34 34 0 [[21, 282]] 1.0 6u0k CK1_TTBK2_HUMAN CK1 7.8e-104 352.6 1.0 262.0 262.0 162 163 164 166 168 50 64 68 138 140 139 141.0 208 196 191 190 189 188 187 186 185 95 Tau-tubulin kinase 2
CK1 TTBK2 TTBK2_HUMAN 6U0KB Q6IQ55 8 299 1244.0 DTQ:303 Type1 Active DFGin 5.539 12.9635 BLAminus -121.87, 159.25 66.65, 95.14 -97.46, 15.84 302.12, 119.42 -64.27, -23.46 in-in in 7.473 Saltbr-in 2.6919 HRD-in -78.29, -47.84 69.94, 2.28 in-in-in SNCiii in-in ActLoopNT-in 2.843 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.42, 128.32 APE9-dihe-na 118.19, -156.28 APE8-dihe-in -104.4, 132.63 APE8-rot-in 299.38 APE67-dihe-in -60.41, -36.62 -56.84, -43.97 APE12-dist-in 11.7517 APE11-dist-in 11.6488 APE10-dist-in 6.2643 APE9-dist-in 3.7387 None None None XRAY 1.744 0.193 0.233 B 300.0 292.0 0 34 34 0 [[21, 282]] 1.0 6u0k CK1_TTBK2_HUMAN CK1 7.8e-104 352.6 1.0 262.0 262.0 162 163 164 166 168 50 64 68 138 140 139 141.0 208 196 191 190 189 188 187 186 185 95 Tau-tubulin kinase 2
CMGC CDK2 CDK2_HUMAN 1DI8A P24941 1 298 298.0 DTQ:500 Type1 Inactive DFGin 5.2857 12.8146 BLBplus -114.54, 155.43 79.27, -0.34 -51.17, 128.46 67.78, 108.22 78.05, -4.2 out-out out 14.8313 Saltbr-out 16.3469 HRD-in -89.04, -65.58 89.71, -9.68 out-out-out SNCooo out-out ActLoopNT-out 5.844 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -63.21, 81.66 APE9-dihe-na -97.7, 112.93 APE8-dihe-in -52.76, 126.46 APE8-rot-out 188.18 APE67-dihe-in -53.72, -28.56 -112.91, 0.13 APE12-dist-none 999.0 APE11-dist-out 21.044 APE10-dist-out 21.0039 APE9-dist-out 11.4211 None None None XRAY 2.2 0.186 0.226 A 298.0 283.0 15 28 19 9 [[4, 286]] 1.0 1di8 CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
TYR RET RET_HUMAN 5AMNA P07949 705 1010 1114.0 DTQ:62018 Type1 Inactive DFGin 6.9237 14.4811 BLAminus -129.35, -171.61 56.5, 78.55 -104.27, 12.34 284.28, 84.08 -59.73, -21.54 in-in in 7.4801 Saltbr-in 2.7785 HRD-in -71.89, -48.34 77.05, -6.64 in-in-out SNCiio in-out ActLoopNT-in 2.8801 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -110.95, 28.12 APE9-dihe-in -97.69, 135.77 APE8-dihe-in -52.26, 130.31 APE8-rot-na 328.98 APE67-dihe-in -75.47, -2.3 -49.07, -44.55 APE12-dist-na 13.7438 APE11-dist-na 9.2733 APE10-dist-na 8.3128 APE9-dist-in 5.5279 None PTR900,PTR905 PTR900,PTR905 XRAY 2.57 0.186 0.237 A 299.0 284.0 6 30 30 0 [[724, 1007]] 1.0 5amn TYR_RET_HUMAN TYR 2.4e-101 344.3 1.0 261.0 261.0 891 892 893 895 897 758 775 779 871 873 872 874.0 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: DTQ

Total number of chains: 6
Active chains: 2
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 6U0KB
DFGin BLBplus 1 16.7% 1DI8A
None None 1 16.7% 3NYVA
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
CK1 TTBK1 TTBK1_HUMAN 4BTKA Q5TCY1 22 311 1321.0 DTQ:61337 Type1.5_Back Inactive DFGin 5.4717 12.8127 BLAminus -121.56, 166.57 53.63, 97.12 -99.35, 18.48 304.76, 110.89 -59.84, -26.48 in-in in 7.207 Saltbr-in 2.7729 HRD-in -77.94, -50.73 70.91, -2.54 in-in-out SNCiio in-out ActLoopNT-in 2.8487 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -104.79, -26.19 APE9-dihe-na -66.74, -163.96 APE8-dihe-in -90.09, 140.06 APE8-rot-out 123.33 APE67-dihe-in -50.85, -41.59 -63.33, -48.74 APE12-dist-in 11.8309 APE11-dist-in 10.5368 APE10-dist-in 6.3834 APE9-dist-in 4.5617 None None None XRAY 2.0 0.192 0.249 A 337.0 287.0 3 34 34 0 [[34, 295]] 1.0 4btk Homo sapiens CK1_TTBK1_HUMAN CK1 5.7e-105 356.4 1.0 262.0 262.0 175 176 177 179 181 63 77 81 151 153 152 154.0 221 209 204 203 202 201 200 199 198 108 Tau-tubulin kinase 1
CK1 TTBK2 TTBK2_HUMAN 6U0KA Q6IQ55 8 298 1244.0 DTQ:302 Type1 Active DFGin 5.4455 13.0064 BLAminus -119.74, 158.68 65.44, 93.77 -97.5, 16.58 303.39, 115.2 -64.55, -24.48 in-in in 7.3634 Saltbr-in 2.6861 HRD-in -77.31, -47.61 69.33, 3.91 in-in-in SNCiii in-in ActLoopNT-in 2.8535 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.86, 126.44 APE9-dihe-na 120.4, -155.7 APE8-dihe-in -106.9, 129.29 APE8-rot-in 301.05 APE67-dihe-in -61.62, -36.39 -57.04, -41.68 APE12-dist-in 11.6476 APE11-dist-in 11.5741 APE10-dist-in 6.085 APE9-dist-in 3.8654 None None None XRAY 1.744 0.193 0.233 A 300.0 290.0 1 34 34 0 [[21, 282]] 1.0 6u0k Homo sapiens CK1_TTBK2_HUMAN CK1 7.8e-104 352.6 1.0 262.0 262.0 162 163 164 166 168 50 64 68 138 140 139 141.0 208 196 191 190 189 188 187 186 185 95 Tau-tubulin kinase 2
CK1 TTBK2 TTBK2_HUMAN 6U0KB Q6IQ55 8 299 1244.0 DTQ:303 Type1 Active DFGin 5.539 12.9635 BLAminus -121.87, 159.25 66.65, 95.14 -97.46, 15.84 302.12, 119.42 -64.27, -23.46 in-in in 7.473 Saltbr-in 2.6919 HRD-in -78.29, -47.84 69.94, 2.28 in-in-in SNCiii in-in ActLoopNT-in 2.843 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.42, 128.32 APE9-dihe-na 118.19, -156.28 APE8-dihe-in -104.4, 132.63 APE8-rot-in 299.38 APE67-dihe-in -60.41, -36.62 -56.84, -43.97 APE12-dist-in 11.7517 APE11-dist-in 11.6488 APE10-dist-in 6.2643 APE9-dist-in 3.7387 None None None XRAY 1.744 0.193 0.233 B 300.0 292.0 0 34 34 0 [[21, 282]] 1.0 6u0k Homo sapiens CK1_TTBK2_HUMAN CK1 7.8e-104 352.6 1.0 262.0 262.0 162 163 164 166 168 50 64 68 138 140 139 141.0 208 196 191 190 189 188 187 186 185 95 Tau-tubulin kinase 2
CMGC CDK2 CDK2_HUMAN 1DI8A P24941 1 298 298.0 DTQ:500 Type1 Inactive DFGin 5.2857 12.8146 BLBplus -114.54, 155.43 79.27, -0.34 -51.17, 128.46 67.78, 108.22 78.05, -4.2 out-out out 14.8313 Saltbr-out 16.3469 HRD-in -89.04, -65.58 89.71, -9.68 out-out-out SNCooo out-out ActLoopNT-out 5.844 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -63.21, 81.66 APE9-dihe-na -97.7, 112.93 APE8-dihe-in -52.76, 126.46 APE8-rot-out 188.18 APE67-dihe-in -53.72, -28.56 -112.91, 0.13 APE12-dist-none 999.0 APE11-dist-out 21.044 APE10-dist-out 21.0039 APE9-dist-out 11.4211 None None None XRAY 2.2 0.186 0.226 A 298.0 283.0 15 28 19 9 [[4, 286]] 1.0 1di8 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
TYR RET RET_HUMAN 5AMNA P07949 705 1010 1114.0 DTQ:62018 Type1 Inactive DFGin 6.9237 14.4811 BLAminus -129.35, -171.61 56.5, 78.55 -104.27, 12.34 284.28, 84.08 -59.73, -21.54 in-in in 7.4801 Saltbr-in 2.7785 HRD-in -71.89, -48.34 77.05, -6.64 in-in-out SNCiio in-out ActLoopNT-in 2.8801 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -110.95, 28.12 APE9-dihe-in -97.69, 135.77 APE8-dihe-in -52.26, 130.31 APE8-rot-na 328.98 APE67-dihe-in -75.47, -2.3 -49.07, -44.55 APE12-dist-na 13.7438 APE11-dist-na 9.2733 APE10-dist-na 8.3128 APE9-dist-in 5.5279 None PTR900,PTR905 PTR900,PTR905 XRAY 2.57 0.186 0.237 A 299.0 284.0 6 30 30 0 [[724, 1007]] 1.0 5amn Homo sapiens TYR_RET_HUMAN TYR 2.4e-101 344.3 1.0 261.0 261.0 891 892 893 895 897 758 775 779 871 873 872 874.0 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
CAMK CDPK1 Q9BJF5_TOXGO 3NYVA Q9BJF5 42 507 507.0 DTQ:701 Type1 Inactive None 11.4779 17.8549 None -104.2, 152.26 81.6, 15.26 -58.42, 129.95 242.27, 103.1 89.84, -14.32 out-out out 14.4245 Saltbr-out 15.1399 HRD-in -90.1, -54.17 75.97, -28.77 out-out-out SNCooo out-out ActLoopNT-out 5.5695 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -53.58, 131.29 APE9-dihe-na 87.92, -20.62 APE8-dihe-out -72.33, -36.14 APE8-rot-out 63.36 APE67-dihe-in -59.85, -30.95 -62.66, -32.85 APE12-dist-out 14.2472 APE11-dist-out 16.0962 APE10-dist-out 18.6425 APE9-dist-out 11.583 None None MSE38,MSE112,MSE165,MSE208,MSE288,MSE295,MSE347,MSE367,MSE388,MSE390,MSE397,MSE432,MSE449,MSE500 XRAY 1.88 0.175 0.222 A 484.0 457.0 0 27 27 0 [[51, 308]] 1.0 3nyv Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 4.6e-90 307.7 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase

Ligand: DTQ

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 1 100.0% 3NYVA
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
CAMK CDPK1 Q9BJF5_TOXGO 3NYVA Q9BJF5 42 507 507.0 DTQ:701 Type1 Inactive None 11.4779 17.8549 None -104.2, 152.26 81.6, 15.26 -58.42, 129.95 242.27, 103.1 89.84, -14.32 out-out out 14.4245 Saltbr-out 15.1399 HRD-in -90.1, -54.17 75.97, -28.77 out-out-out SNCooo out-out ActLoopNT-out 5.5695 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -53.58, 131.29 APE9-dihe-na 87.92, -20.62 APE8-dihe-out -72.33, -36.14 APE8-rot-out 63.36 APE67-dihe-in -59.85, -30.95 -62.66, -32.85 APE12-dist-out 14.2472 APE11-dist-out 16.0962 APE10-dist-out 18.6425 APE9-dist-out 11.583 None None MSE38,MSE112,MSE165,MSE208,MSE288,MSE295,MSE347,MSE367,MSE388,MSE390,MSE397,MSE432,MSE449,MSE500 XRAY 1.88 0.175 0.222 A 484.0 457.0 0 27 27 0 [[51, 308]] 1.0 3nyv Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 4.6e-90 307.7 1.0 256.0 256.0 194 195 196 198 200 80 99 103 171 173 172 174.0 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase