Ligand: BX7

Total number of chains: 10
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 70.0% 4EUUA
DFGin BLBplus 2 20.0% 4IM2A
DFGin None 1 10.0% 4IWPA
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
OTHER TBK1 TBK1_HUMAN 4EUUA Q9UHD2 2 307 729.0 BX7:60401 Type1 Active DFGin 6.8845 13.708 BLAminus -149.45, -171.7 60.73, 75.15 -94.29, 22.12 284.45, 84.57 -56.95, -31.59 in-in in 8.3503 Saltbr-in 2.7769 HRD-in -89.96, -55.24 75.16, 8.62 in-in-in SNCiii in-in ActLoopNT-in 2.886 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.22, 171.79 APE9-dihe-na 116.46, -167.3 APE8-dihe-in -133.65, 129.66 APE8-rot-in 296.24 APE67-dihe-in -70.89, -19.14 -44.3, -46.34 APE12-dist-in 9.0248 APE11-dist-in 10.1839 APE10-dist-in 4.8408 APE9-dist-in 3.4085 D135N SEP172 SEP172 XRAY 1.8 0.17 0.194 A 319.0 306.0 0 27 27 0 [[9, 625]] 1.0 4euu OTHER_TBK1_HUMAN OTHER 5.2e-42 150.0 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUUB Q9UHD2 2 307 729.0 BX7:60401 Type1 Active DFGin 6.8537 13.5575 BLAminus -149.67, -169.25 59.25, 76.47 -95.25, 24.67 286.86, 82.81 -60.26, -24.9 in-in in 8.3122 Saltbr-in 2.8231 HRD-in -94.27, -51.86 75.28, 11.95 in-in-in SNCiii in-in ActLoopNT-in 2.9146 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.26, 163.87 APE9-dihe-na 122.52, -168.66 APE8-dihe-in -132.25, 128.66 APE8-rot-in 296.78 APE67-dihe-in -66.29, -20.21 -52.98, -41.57 APE12-dist-in 9.0946 APE11-dist-in 10.1274 APE10-dist-in 4.8127 APE9-dist-in 3.4217 D135N SEP172 SEP172 XRAY 1.8 0.17 0.194 B 319.0 306.0 0 27 27 0 [[9, 625]] 1.0 4euu OTHER_TBK1_HUMAN OTHER 5.2e-42 150.0 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUTA Q9UHD2 2 385 729.0 BX7:60401 Type1 Inactive DFGin 6.883 13.6385 BLAminus -159.22, -168.26 61.75, 57.03 -82.72, 42.54 295.65, 82.26 -64.31, -31.5 in-in in 8.3155 Saltbr-in 2.3211 HRD-in -73.96, -54.83 84.2, -10.29 in-in-out SNCiio in-out ActLoopNT-in 3.0124 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -102.7, 129.45 APE9-dihe-na -58.48, -57.42 APE8-dihe-in -136.66, 145.1 APE8-rot-out 88.82 APE67-dihe-in -52.88, -19.91 -92.7, -13.2 APE12-dist-out 30.1354 APE11-dist-out 24.0995 APE10-dist-out 26.5158 APE9-dist-out 32.4706 D135N None None XRAY 2.6 0.216 0.257 A 396.0 382.0 2 27 27 0 [[9, 625]] 1.0 4eut OTHER_TBK1_HUMAN OTHER 8.8e-42 149.5 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUTB Q9UHD2 2 385 729.0 BX7:60401 Type1 Inactive DFGin 6.879 13.663 BLAminus -146.55, -168.94 58.32, 68.8 -93.86, 31.15 285.43, 84.48 -61.33, -33.63 in-in in 8.4002 Saltbr-in 2.6222 HRD-in -76.77, -55.1 80.6, -8.11 in-in-out SNCiio in-out ActLoopNT-in 2.9838 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -97.14, 115.67 APE9-dihe-na -68.94, -54.62 APE8-dihe-in -115.7, 141.18 APE8-rot-out 64.24 APE67-dihe-in -58.71, -19.7 -101.7, -8.42 APE12-dist-out 27.6564 APE11-dist-out 24.1267 APE10-dist-out 27.1275 APE9-dist-out 33.299 D135N None None XRAY 2.6 0.216 0.257 B 396.0 377.0 7 27 27 0 [[9, 625]] 1.0 4eut OTHER_TBK1_HUMAN OTHER 8.8e-42 149.5 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IW0A Q9UHD2 2 657 729.0 BX7:60701 Type1 Active DFGin 7.2425 13.9025 BLAminus -155.36, -171.41 57.26, 68.28 -92.34, 33.21 293.18, 94.33 -70.66, -23.63 in-in in 9.4304 Saltbr-in 2.4622 HRD-in -106.67, -50.47 63.21, 19.01 in-in-in SNCiii in-in ActLoopNT-in 3.3973 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.9, 153.67 APE9-dihe-na 126.79, 169.6 APE8-dihe-in -88.95, 160.27 APE8-rot-in 323.58 APE67-dihe-in -68.26, -28.77 -61.06, -59.04 APE12-dist-in 9.0982 APE11-dist-in 9.878 APE10-dist-in 4.6397 APE9-dist-in 3.2106 D135N SEP172 SEP172 XRAY 4.0 0.24 0.291 A 658.0 646.0 0 27 27 0 [[9, 625]] 1.0 4iw0 OTHER_TBK1_HUMAN OTHER 1.6e-41 148.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 6O8BA Q9UHD2 2 656 729.0 BX7:60701 Type1 Inactive DFGin 8.0243 14.1565 BLAminus -167.16, -174.99 52.37, 56.07 -72.25, 60.65 314.15, 135.49 -69.84, -26.09 out-out out 13.1961 Saltbr-out 9.426 HRD-in -76.99, -64.92 59.52, 19.15 out-in-out SNCoio in-out ActLoopNT-in 3.4144 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiii APE10-dihe-na -154.01, 141.29 APE9-dihe-na 147.45, -177.44 APE8-dihe-in -109.41, 155.1 APE8-rot-out 222.95 APE67-dihe-in -65.05, -44.47 -68.41, -46.7 APE12-dist-out 6.4072 APE11-dist-in 8.8272 APE10-dist-in 4.0767 APE9-dist-in 4.8439 D135N,S172E None None XRAY 3.4 0.244 0.258 A 665.0 649.0 0 27 27 0 [[9, 625]] 1.0 6o8b OTHER_TBK1_HUMAN OTHER 3.3e-41 147.9 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 6O8BB Q9UHD2 2 654 729.0 BX7:60701 Type1 Inactive DFGin 6.2451 13.8364 BLAminus -162.79, -160.44 49.62, 61.03 -82.51, 26.39 298.43, 91.64 -59.15, -28.42 in-in in 8.9392 Saltbr-in 2.3353 HRD-out -92.45, 101.87 -91.5, 28.16 in-out-in SNCioi out-in ActLoopNT-out 3.7179 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.24, 162.25 APE9-dihe-na 143.39, -172.96 APE8-dihe-in -120.34, 144.55 APE8-rot-in 302.76 APE67-dihe-in -62.83, -22.71 -55.27, -66.45 APE12-dist-in 8.8313 APE11-dist-in 9.6168 APE10-dist-in 4.3327 APE9-dist-in 4.2381 D135N,S172E None None XRAY 3.4 0.244 0.258 B 665.0 653.0 0 27 27 0 [[9, 625]] 1.0 6o8b OTHER_TBK1_HUMAN OTHER 3.3e-41 147.9 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IM2A Q9UHD2 1 657 729.0 BX7:60701 Type1 Inactive DFGin 7.0746 13.1366 BLBplus -136.28, 173.8 65.75, 52.9 -107.95, 125.12 18.78, 94.0 108.02, 999.0 out-out out 12.9861 Saltbr-out 11.517 HRD-out -95.3, 97.77 -57.37, -35.78 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 136.8 APE8-rot-none 999.0 APE67-dihe-in -56.86, -20.77 -32.3, -61.49 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 D135N None None XRAY 2.5 0.2 0.255 A 663.0 616.0 26 27 11 16 [[9, 625]] 1.0 4im2 OTHER_TBK1_HUMAN OTHER 4.3e-41 148.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IM3A Q9UHD2 1 657 729.0 BX7:60701 Type1 Inactive DFGin 7.954 13.2327 BLBplus -150.28, 172.42 61.6, 53.39 -107.06, 123.71 23.03, 90.43 -109.41, 999.0 out-out out 14.8912 Saltbr-out 13.1605 HRD-out -102.64, 82.39 -45.52, -34.46 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 D135N None None XRAY 3.342 0.223 0.279 A 663.0 603.0 44 27 3 24 [[9, 625]] 1.0 4im3 OTHER_TBK1_HUMAN OTHER 4.3e-41 148.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IWPA Q9UHD2 2 657 729.0 BX7:60701 Type1 Inactive DFGin 7.288 13.4137 None -134.43, -56.21 -87.24, 102.18 -162.15, 172.63 51.08, 85.4 74.44, 12.62 out-out out 14.1533 Saltbr-out 13.3168 HRD-in -97.28, -65.46 67.49, -12.98 out-out-none SNCoon out-none ActLoopNT-out 7.8934 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 159.34 APE8-dihe-in -75.67, 146.05 APE8-rot-in 314.2 APE67-dihe-in -83.23, -17.66 -52.37, -34.44 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.5598 S172A None None XRAY 3.065 0.283 0.335 A 659.0 625.0 22 27 17 10 [[9, 625]] 1.0 4iwp OTHER_TBK1_HUMAN OTHER 7.9e-42 149.7 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1

Ligand: BX7

Total number of chains: 13
Active chains: 3
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 53.8% 4EUUA
DFGin BLBplus 4 30.8% 6O8CA
DFGin BLAplus 1 7.7% 4JL9A
DFGin None 1 7.7% 4IWPA
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
OTHER TBK1 TBK1_HUMAN 4EUUA Q9UHD2 2 307 729.0 BX7:60401 Type1 Active DFGin 6.8845 13.708 BLAminus -149.45, -171.7 60.73, 75.15 -94.29, 22.12 284.45, 84.57 -56.95, -31.59 in-in in 8.3503 Saltbr-in 2.7769 HRD-in -89.96, -55.24 75.16, 8.62 in-in-in SNCiii in-in ActLoopNT-in 2.886 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.22, 171.79 APE9-dihe-na 116.46, -167.3 APE8-dihe-in -133.65, 129.66 APE8-rot-in 296.24 APE67-dihe-in -70.89, -19.14 -44.3, -46.34 APE12-dist-in 9.0248 APE11-dist-in 10.1839 APE10-dist-in 4.8408 APE9-dist-in 3.4085 D135N SEP172 SEP172 XRAY 1.8 0.17 0.194 A 319.0 306.0 0 27 27 0 [[9, 625]] 1.0 4euu Homo sapiens OTHER_TBK1_HUMAN OTHER 5.2e-42 150.0 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUUB Q9UHD2 2 307 729.0 BX7:60401 Type1 Active DFGin 6.8537 13.5575 BLAminus -149.67, -169.25 59.25, 76.47 -95.25, 24.67 286.86, 82.81 -60.26, -24.9 in-in in 8.3122 Saltbr-in 2.8231 HRD-in -94.27, -51.86 75.28, 11.95 in-in-in SNCiii in-in ActLoopNT-in 2.9146 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.26, 163.87 APE9-dihe-na 122.52, -168.66 APE8-dihe-in -132.25, 128.66 APE8-rot-in 296.78 APE67-dihe-in -66.29, -20.21 -52.98, -41.57 APE12-dist-in 9.0946 APE11-dist-in 10.1274 APE10-dist-in 4.8127 APE9-dist-in 3.4217 D135N SEP172 SEP172 XRAY 1.8 0.17 0.194 B 319.0 306.0 0 27 27 0 [[9, 625]] 1.0 4euu Homo sapiens OTHER_TBK1_HUMAN OTHER 5.2e-42 150.0 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUTA Q9UHD2 2 385 729.0 BX7:60401 Type1 Inactive DFGin 6.883 13.6385 BLAminus -159.22, -168.26 61.75, 57.03 -82.72, 42.54 295.65, 82.26 -64.31, -31.5 in-in in 8.3155 Saltbr-in 2.3211 HRD-in -73.96, -54.83 84.2, -10.29 in-in-out SNCiio in-out ActLoopNT-in 3.0124 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -102.7, 129.45 APE9-dihe-na -58.48, -57.42 APE8-dihe-in -136.66, 145.1 APE8-rot-out 88.82 APE67-dihe-in -52.88, -19.91 -92.7, -13.2 APE12-dist-out 30.1354 APE11-dist-out 24.0995 APE10-dist-out 26.5158 APE9-dist-out 32.4706 D135N None None XRAY 2.6 0.216 0.257 A 396.0 382.0 2 27 27 0 [[9, 625]] 1.0 4eut Homo sapiens OTHER_TBK1_HUMAN OTHER 8.8e-42 149.5 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4EUTB Q9UHD2 2 385 729.0 BX7:60401 Type1 Inactive DFGin 6.879 13.663 BLAminus -146.55, -168.94 58.32, 68.8 -93.86, 31.15 285.43, 84.48 -61.33, -33.63 in-in in 8.4002 Saltbr-in 2.6222 HRD-in -76.77, -55.1 80.6, -8.11 in-in-out SNCiio in-out ActLoopNT-in 2.9838 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -97.14, 115.67 APE9-dihe-na -68.94, -54.62 APE8-dihe-in -115.7, 141.18 APE8-rot-out 64.24 APE67-dihe-in -58.71, -19.7 -101.7, -8.42 APE12-dist-out 27.6564 APE11-dist-out 24.1267 APE10-dist-out 27.1275 APE9-dist-out 33.299 D135N None None XRAY 2.6 0.216 0.257 B 396.0 377.0 7 27 27 0 [[9, 625]] 1.0 4eut Homo sapiens OTHER_TBK1_HUMAN OTHER 8.8e-42 149.5 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IW0A Q9UHD2 2 657 729.0 BX7:60701 Type1 Active DFGin 7.2425 13.9025 BLAminus -155.36, -171.41 57.26, 68.28 -92.34, 33.21 293.18, 94.33 -70.66, -23.63 in-in in 9.4304 Saltbr-in 2.4622 HRD-in -106.67, -50.47 63.21, 19.01 in-in-in SNCiii in-in ActLoopNT-in 3.3973 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.9, 153.67 APE9-dihe-na 126.79, 169.6 APE8-dihe-in -88.95, 160.27 APE8-rot-in 323.58 APE67-dihe-in -68.26, -28.77 -61.06, -59.04 APE12-dist-in 9.0982 APE11-dist-in 9.878 APE10-dist-in 4.6397 APE9-dist-in 3.2106 D135N SEP172 SEP172 XRAY 4.0 0.24 0.291 A 658.0 646.0 0 27 27 0 [[9, 625]] 1.0 4iw0 Homo sapiens OTHER_TBK1_HUMAN OTHER 1.6e-41 148.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 6O8BA Q9UHD2 2 656 729.0 BX7:60701 Type1 Inactive DFGin 8.0243 14.1565 BLAminus -167.16, -174.99 52.37, 56.07 -72.25, 60.65 314.15, 135.49 -69.84, -26.09 out-out out 13.1961 Saltbr-out 9.426 HRD-in -76.99, -64.92 59.52, 19.15 out-in-out SNCoio in-out ActLoopNT-in 3.4144 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiii APE10-dihe-na -154.01, 141.29 APE9-dihe-na 147.45, -177.44 APE8-dihe-in -109.41, 155.1 APE8-rot-out 222.95 APE67-dihe-in -65.05, -44.47 -68.41, -46.7 APE12-dist-out 6.4072 APE11-dist-in 8.8272 APE10-dist-in 4.0767 APE9-dist-in 4.8439 D135N,S172E None None XRAY 3.4 0.244 0.258 A 665.0 649.0 0 27 27 0 [[9, 625]] 1.0 6o8b Homo sapiens OTHER_TBK1_HUMAN OTHER 3.3e-41 147.9 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 6O8BB Q9UHD2 2 654 729.0 BX7:60701 Type1 Inactive DFGin 6.2451 13.8364 BLAminus -162.79, -160.44 49.62, 61.03 -82.51, 26.39 298.43, 91.64 -59.15, -28.42 in-in in 8.9392 Saltbr-in 2.3353 HRD-out -92.45, 101.87 -91.5, 28.16 in-out-in SNCioi out-in ActLoopNT-out 3.7179 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -151.24, 162.25 APE9-dihe-na 143.39, -172.96 APE8-dihe-in -120.34, 144.55 APE8-rot-in 302.76 APE67-dihe-in -62.83, -22.71 -55.27, -66.45 APE12-dist-in 8.8313 APE11-dist-in 9.6168 APE10-dist-in 4.3327 APE9-dist-in 4.2381 D135N,S172E None None XRAY 3.4 0.244 0.258 B 665.0 653.0 0 27 27 0 [[9, 625]] 1.0 6o8b Homo sapiens OTHER_TBK1_HUMAN OTHER 3.3e-41 147.9 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IM2A Q9UHD2 1 657 729.0 BX7:60701 Type1 Inactive DFGin 7.0746 13.1366 BLBplus -136.28, 173.8 65.75, 52.9 -107.95, 125.12 18.78, 94.0 108.02, 999.0 out-out out 12.9861 Saltbr-out 11.517 HRD-out -95.3, 97.77 -57.37, -35.78 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 136.8 APE8-rot-none 999.0 APE67-dihe-in -56.86, -20.77 -32.3, -61.49 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 D135N None None XRAY 2.5 0.2 0.255 A 663.0 616.0 26 27 11 16 [[9, 625]] 1.0 4im2 Homo sapiens OTHER_TBK1_HUMAN OTHER 4.3e-41 148.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IM3A Q9UHD2 1 657 729.0 BX7:60701 Type1 Inactive DFGin 7.954 13.2327 BLBplus -150.28, 172.42 61.6, 53.39 -107.06, 123.71 23.03, 90.43 -109.41, 999.0 out-out out 14.8912 Saltbr-out 13.1605 HRD-out -102.64, 82.39 -45.52, -34.46 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 D135N None None XRAY 3.342 0.223 0.279 A 663.0 603.0 44 27 3 24 [[9, 625]] 1.0 4im3 Homo sapiens OTHER_TBK1_HUMAN OTHER 4.3e-41 148.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_HUMAN 4IWPA Q9UHD2 2 657 729.0 BX7:60701 Type1 Inactive DFGin 7.288 13.4137 None -134.43, -56.21 -87.24, 102.18 -162.15, 172.63 51.08, 85.4 74.44, 12.62 out-out out 14.1533 Saltbr-out 13.3168 HRD-in -97.28, -65.46 67.49, -12.98 out-out-none SNCoon out-none ActLoopNT-out 7.8934 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 159.34 APE8-dihe-in -75.67, 146.05 APE8-rot-in 314.2 APE67-dihe-in -83.23, -17.66 -52.37, -34.44 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.5598 S172A None None XRAY 3.065 0.283 0.335 A 659.0 625.0 22 27 17 10 [[9, 625]] 1.0 4iwp Homo sapiens OTHER_TBK1_HUMAN OTHER 7.9e-42 149.7 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_MOUSE 4JL9A Q9WUN2 2 656 729.0 BX7:60701 Type1 Inactive DFGin 6.9192 12.6831 BLAplus -138.0, 178.5 57.92, 67.1 -136.47, -32.02 43.45, 79.55 -75.87, -25.93 out-out out 13.1487 Saltbr-out 10.0372 HRD-out -66.41, 148.0 -111.76, -49.06 out-out-out SNCooo out-out ActLoopNT-out 10.3247 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 67.22 APE8-dihe-out -104.51, 12.79 APE8-rot-in 322.0 APE67-dihe-in -86.97, 29.44 -60.15, -49.9 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 26.1493 None None None XRAY 3.1 0.231 0.269 A 657.0 644.0 7 27 20 7 [[9, 625]] 1.0 4jl9 Mus musculus OTHER_TBK1_MOUSE OTHER 4e-42 151.8 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_MOUSE 6O8CA Q9WUN2 2 651 729.0 BX7:60701 Type1 Inactive DFGin 6.3513 13.655 BLBplus -168.96, 167.59 66.57, 53.71 -125.53, 131.95 44.25, 87.0 -63.6, 176.49 out-out out 13.0966 Saltbr-out 8.6758 HRD-out -103.81, 139.46 -86.83, 19.29 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -156.17 APE8-rot-out 174.96 APE67-dihe-out -111.09, 3.21 84.18, -22.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S172A None None XRAY 3.17 0.214 0.231 A 665.0 630.0 14 27 13 14 [[9, 625]] 1.0 6o8c Mus musculus OTHER_TBK1_MOUSE OTHER 1e-41 150.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_MOUSE 6O8CB Q9WUN2 2 653 729.0 BX7:60701 Type1 Inactive DFGin 6.5811 13.4465 BLBplus -169.0, 172.78 75.03, 43.09 -126.0, 152.08 53.16, 82.35 -96.05, -164.51 out-out out 12.8633 Saltbr-out 7.0606 HRD-out -152.89, 105.64 -106.44, -11.35 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -155.61 APE8-dihe-out -81.91, 14.01 APE8-rot-in 315.32 APE67-dihe-out -99.5, -7.86 76.01, -32.87 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 32.9673 S172A None None XRAY 3.17 0.214 0.231 B 665.0 638.0 14 27 13 14 [[9, 625]] 1.0 6o8c Mus musculus OTHER_TBK1_MOUSE OTHER 1e-41 150.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1

Ligand: BX7

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 6O8CA
DFGin BLAplus 1 33.3% 4JL9A
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
OTHER TBK1 TBK1_MOUSE 4JL9A Q9WUN2 2 656 729.0 BX7:60701 Type1 Inactive DFGin 6.9192 12.6831 BLAplus -138.0, 178.5 57.92, 67.1 -136.47, -32.02 43.45, 79.55 -75.87, -25.93 out-out out 13.1487 Saltbr-out 10.0372 HRD-out -66.41, 148.0 -111.76, -49.06 out-out-out SNCooo out-out ActLoopNT-out 10.3247 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 67.22 APE8-dihe-out -104.51, 12.79 APE8-rot-in 322.0 APE67-dihe-in -86.97, 29.44 -60.15, -49.9 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 26.1493 None None None XRAY 3.1 0.231 0.269 A 657.0 644.0 7 27 20 7 [[9, 625]] 1.0 4jl9 Mus musculus OTHER_TBK1_MOUSE OTHER 4e-42 151.8 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_MOUSE 6O8CA Q9WUN2 2 651 729.0 BX7:60701 Type1 Inactive DFGin 6.3513 13.655 BLBplus -168.96, 167.59 66.57, 53.71 -125.53, 131.95 44.25, 87.0 -63.6, 176.49 out-out out 13.0966 Saltbr-out 8.6758 HRD-out -103.81, 139.46 -86.83, 19.29 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -156.17 APE8-rot-out 174.96 APE67-dihe-out -111.09, 3.21 84.18, -22.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S172A None None XRAY 3.17 0.214 0.231 A 665.0 630.0 14 27 13 14 [[9, 625]] 1.0 6o8c Mus musculus OTHER_TBK1_MOUSE OTHER 1e-41 150.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1
OTHER TBK1 TBK1_MOUSE 6O8CB Q9WUN2 2 653 729.0 BX7:60701 Type1 Inactive DFGin 6.5811 13.4465 BLBplus -169.0, 172.78 75.03, 43.09 -126.0, 152.08 53.16, 82.35 -96.05, -164.51 out-out out 12.8633 Saltbr-out 7.0606 HRD-out -152.89, 105.64 -106.44, -11.35 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -155.61 APE8-dihe-out -81.91, 14.01 APE8-rot-in 315.32 APE67-dihe-out -99.5, -7.86 76.01, -32.87 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 32.9673 S172A None None XRAY 3.17 0.214 0.231 B 665.0 638.0 14 27 13 14 [[9, 625]] 1.0 6o8c Mus musculus OTHER_TBK1_MOUSE OTHER 1e-41 150.6 2.0 255.0 254.0 156 157 158 160 162 38 55 59 132 134 133 135.0 203 183 178 177 176 175 174 173 172 87 Serine/threonine-protein kinase TBK1