Ligand: ANW

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 100.0% 5W5VA
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 5W5VA Q9UHD2 1 657 729.0 ANW:701 Type1 Inactive DFGin 5.8313 13.8994 BLBplus -150.83, 171.94 61.31, 54.9 -105.86, 123.88 36.87, 102.28 102.91, 999.0 out-out out 14.215 Saltbr-out 12.3019 HRD-out -104.47, 80.21 -47.11, -34.33 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 -64.94, -19.3 999.0, -57.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.645 0.235 0.29 A 660.0 599.0 43 27 10 17 [[9, 625]] 1.0 5w5v OTHER_TBK1_HUMAN OTHER 4.3e-42 150.8 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

Ligand: ANW

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 4WBOA
DFGin BLBplus 1 20.0% 5W5VA
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
AGC GRK1 GRK1_BOVIN 4WBOA P28327 28 533 561.0 ANW:601 Type1 Inactive DFGin 5.9481 13.2578 BLAminus -146.44, 170.56 64.48, 78.76 -93.1, 25.97 287.19, 103.23 -64.53, -31.02 in-out in 9.4403 Saltbr-out 4.1695 HRD-in -74.57, -52.51 66.08, 11.01 out-in-in SNCoii in-in ActLoopNT-in 2.8138 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.31, 145.0 APE9-dihe-na 138.11, -171.62 APE8-dihe-in -107.94, 132.02 APE8-rot-in 308.16 APE67-dihe-inflip 100.64, -17.52 -51.85, 128.49 APE12-dist-in 10.2576 APE11-dist-in 11.1305 APE10-dist-in 5.5198 APE9-dist-in 3.5303 None None None XRAY 2.81 0.243 0.267 A 541.0 497.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
AGC GRK1 GRK1_BOVIN 4WBOB P28327 30 533 561.0 ANW:601 Type1 Inactive DFGin 5.9542 13.2886 BLAminus -146.62, 171.17 63.95, 77.64 -91.91, 26.29 286.92, 103.21 -63.89, -32.19 in-out in 9.5168 Saltbr-out 4.1969 HRD-in -74.66, -52.71 66.21, 10.61 out-in-in SNCoii in-in ActLoopNT-in 2.8113 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.36, 145.07 APE9-dihe-na 138.91, -171.46 APE8-dihe-in -107.75, 132.29 APE8-rot-in 308.55 APE67-dihe-inflip 100.74, -17.56 -52.36, 128.88 APE12-dist-in 10.2543 APE11-dist-in 11.1301 APE10-dist-in 5.5133 APE9-dist-in 3.5248 None None None XRAY 2.81 0.243 0.267 B 541.0 495.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
AGC GRK1 GRK1_BOVIN 4WBOC P28327 31 531 561.0 ANW:601 Type1 Inactive DFGin 5.9556 13.1632 BLAminus -146.21, 170.22 64.35, 78.08 -92.41, 26.2 287.47, 102.96 -63.87, -32.11 in-out in 9.3966 Saltbr-out 3.7689 HRD-in -74.89, -52.54 66.21, 10.58 out-in-in SNCoii in-in ActLoopNT-in 2.8069 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.19, 145.1 APE9-dihe-na 138.92, -171.47 APE8-dihe-in -107.47, 132.18 APE8-rot-in 308.34 APE67-dihe-inflip 100.67, -17.42 -51.93, 128.63 APE12-dist-in 10.2519 APE11-dist-in 11.1292 APE10-dist-in 5.5118 APE9-dist-in 3.5259 None None None XRAY 2.81 0.243 0.267 C 541.0 481.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
AGC GRK1 GRK1_BOVIN 4WBOD P28327 30 531 561.0 ANW:601 Type1 Inactive DFGin 5.9637 13.2454 BLAminus -146.28, 170.52 64.39, 78.16 -92.93, 26.26 287.26, 103.4 -64.25, -31.88 in-out in 9.4433 Saltbr-out 4.1679 HRD-in -74.7, -52.76 66.23, 10.86 out-in-in SNCoii in-in ActLoopNT-in 2.8047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.01, 145.2 APE9-dihe-na 138.57, -171.52 APE8-dihe-in -107.49, 131.96 APE8-rot-in 308.49 APE67-dihe-inflip 100.73, -17.59 -51.76, 128.57 APE12-dist-in 10.2771 APE11-dist-in 11.157 APE10-dist-in 5.5301 APE9-dist-in 3.529 None None None XRAY 2.81 0.243 0.267 D 541.0 491.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
OTHER TBK1 TBK1_HUMAN 5W5VA Q9UHD2 1 657 729.0 ANW:701 Type1 Inactive DFGin 5.8313 13.8994 BLBplus -150.83, 171.94 61.31, 54.9 -105.86, 123.88 36.87, 102.28 102.91, 999.0 out-out out 14.215 Saltbr-out 12.3019 HRD-out -104.47, 80.21 -47.11, -34.33 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 -64.94, -19.3 999.0, -57.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.645 0.235 0.29 A 660.0 599.0 43 27 10 17 [[9, 625]] 1.0 5w5v Homo sapiens OTHER_TBK1_HUMAN OTHER 4.3e-42 150.8 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

Ligand: ANW

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4WBOA
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
AGC GRK1 GRK1_BOVIN 4WBOA P28327 28 533 561.0 ANW:601 Type1 Inactive DFGin 5.9481 13.2578 BLAminus -146.44, 170.56 64.48, 78.76 -93.1, 25.97 287.19, 103.23 -64.53, -31.02 in-out in 9.4403 Saltbr-out 4.1695 HRD-in -74.57, -52.51 66.08, 11.01 out-in-in SNCoii in-in ActLoopNT-in 2.8138 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.31, 145.0 APE9-dihe-na 138.11, -171.62 APE8-dihe-in -107.94, 132.02 APE8-rot-in 308.16 APE67-dihe-inflip 100.64, -17.52 -51.85, 128.49 APE12-dist-in 10.2576 APE11-dist-in 11.1305 APE10-dist-in 5.5198 APE9-dist-in 3.5303 None None None XRAY 2.81 0.243 0.267 A 541.0 497.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
AGC GRK1 GRK1_BOVIN 4WBOB P28327 30 533 561.0 ANW:601 Type1 Inactive DFGin 5.9542 13.2886 BLAminus -146.62, 171.17 63.95, 77.64 -91.91, 26.29 286.92, 103.21 -63.89, -32.19 in-out in 9.5168 Saltbr-out 4.1969 HRD-in -74.66, -52.71 66.21, 10.61 out-in-in SNCoii in-in ActLoopNT-in 2.8113 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.36, 145.07 APE9-dihe-na 138.91, -171.46 APE8-dihe-in -107.75, 132.29 APE8-rot-in 308.55 APE67-dihe-inflip 100.74, -17.56 -52.36, 128.88 APE12-dist-in 10.2543 APE11-dist-in 11.1301 APE10-dist-in 5.5133 APE9-dist-in 3.5248 None None None XRAY 2.81 0.243 0.267 B 541.0 495.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
AGC GRK1 GRK1_BOVIN 4WBOC P28327 31 531 561.0 ANW:601 Type1 Inactive DFGin 5.9556 13.1632 BLAminus -146.21, 170.22 64.35, 78.08 -92.41, 26.2 287.47, 102.96 -63.87, -32.11 in-out in 9.3966 Saltbr-out 3.7689 HRD-in -74.89, -52.54 66.21, 10.58 out-in-in SNCoii in-in ActLoopNT-in 2.8069 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.19, 145.1 APE9-dihe-na 138.92, -171.47 APE8-dihe-in -107.47, 132.18 APE8-rot-in 308.34 APE67-dihe-inflip 100.67, -17.42 -51.93, 128.63 APE12-dist-in 10.2519 APE11-dist-in 11.1292 APE10-dist-in 5.5118 APE9-dist-in 3.5259 None None None XRAY 2.81 0.243 0.267 C 541.0 481.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1
AGC GRK1 GRK1_BOVIN 4WBOD P28327 30 531 561.0 ANW:601 Type1 Inactive DFGin 5.9637 13.2454 BLAminus -146.28, 170.52 64.39, 78.16 -92.93, 26.26 287.26, 103.4 -64.25, -31.88 in-out in 9.4433 Saltbr-out 4.1679 HRD-in -74.7, -52.76 66.23, 10.86 out-in-in SNCoii in-in ActLoopNT-in 2.8047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.01, 145.2 APE9-dihe-na 138.57, -171.52 APE8-dihe-in -107.49, 131.96 APE8-rot-in 308.49 APE67-dihe-inflip 100.73, -17.59 -51.76, 128.57 APE12-dist-in 10.2771 APE11-dist-in 11.157 APE10-dist-in 5.5301 APE9-dist-in 3.529 None None None XRAY 2.81 0.243 0.267 D 541.0 491.0 0 28 28 0 [[187, 452]] 1.0 4wbo Bos taurus AGC_GRK1_BOVIN AGC 3e-80 275.1 4.0 260.0 257.0 331 332 333 335 337 216 235 239 311 313 312 314.0 371 359 354 353 352 351 350 349 348 265 Rhodopsin kinase GRK1