Ligand: BA1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 3KRWA
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
AGC GRK2 ARBK1_HUMAN 3KRWA P25098 30 671 689.0 BA1:690 Type1 Inactive DFGin 5.4431 12.512 None -124.43, -69.99 -70.72, 103.06 -103.15, 18.82 281.61, 154.56 -63.74, -46.79 in-in in 8.9073 Saltbr-in 2.6208 HRD-in -80.35, -50.37 71.38, -3.06 in-in-in SNCiii in-in ActLoopNT-in 2.7506 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.68, 135.05 APE9-dihe-na 136.51, -178.33 APE8-dihe-in -97.44, 143.34 APE8-rot-in 311.93 APE67-dihe-in -81.84, -17.98 -65.75, -16.48 APE12-dist-in 9.7737 APE11-dist-in 11.7182 APE10-dist-in 5.7635 APE9-dist-in 3.2649 None None None XRAY 2.9 0.216 0.265 A 688.0 618.0 0 26 26 0 [[191, 453]] 1.0 3krw AGC_GRK2_HUMAN AGC 6.2e-77 267.6 1.0 260.0 260.0 334 335 336 338 340 220 239 243 314 316 315 317.0 373 360 355 354 353 352 351 350 349 272 Beta-adrenergic receptor kinase 1
AGC GRK2 ARBK1_HUMAN 3KRXA P25098 30 671 689.0 BA1:690 Type1 Inactive DFGin 5.4192 12.8449 None -125.39, -77.94 -69.67, 105.65 -105.64, 33.0 281.38, 161.16 -76.22, -41.07 in-in in 9.1809 Saltbr-in 2.9453 HRD-in -81.43, -47.09 70.32, -0.2 in-in-in SNCiii in-in ActLoopNT-in 2.7468 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -83.75, 134.45 APE9-dihe-na 144.08, -171.31 APE8-dihe-in -102.11, 138.21 APE8-rot-in 300.04 APE67-dihe-in -91.64, -15.37 -61.65, -13.24 APE12-dist-in 9.2638 APE11-dist-in 11.5714 APE10-dist-in 5.62 APE9-dist-in 3.2776 None None None XRAY 3.1 0.232 0.27 A 688.0 618.0 0 26 26 0 [[191, 453]] 1.0 3krx AGC_GRK2_HUMAN AGC 6.2e-77 267.6 1.0 260.0 260.0 334 335 336 338 340 220 239 243 314 316 315 317.0 373 360 355 354 353 352 351 350 349 272 Beta-adrenergic receptor kinase 1

Ligand: BA1

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 3KRWA
DFGin BLAminus 1 33.3% 1BX6A
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 GRK2 ARBK1_HUMAN 3KRWA P25098 30 671 689.0 BA1:690 Type1 Inactive DFGin 5.4431 12.512 None -124.43, -69.99 -70.72, 103.06 -103.15, 18.82 281.61, 154.56 -63.74, -46.79 in-in in 8.9073 Saltbr-in 2.6208 HRD-in -80.35, -50.37 71.38, -3.06 in-in-in SNCiii in-in ActLoopNT-in 2.7506 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.68, 135.05 APE9-dihe-na 136.51, -178.33 APE8-dihe-in -97.44, 143.34 APE8-rot-in 311.93 APE67-dihe-in -81.84, -17.98 -65.75, -16.48 APE12-dist-in 9.7737 APE11-dist-in 11.7182 APE10-dist-in 5.7635 APE9-dist-in 3.2649 None None None XRAY 2.9 0.216 0.265 A 688.0 618.0 0 26 26 0 [[191, 453]] 1.0 3krw Homo sapiens AGC_GRK2_HUMAN AGC 6.2e-77 267.6 1.0 260.0 260.0 334 335 336 338 340 220 239 243 314 316 315 317.0 373 360 355 354 353 352 351 350 349 272 Beta-adrenergic receptor kinase 1
AGC GRK2 ARBK1_HUMAN 3KRXA P25098 30 671 689.0 BA1:690 Type1 Inactive DFGin 5.4192 12.8449 None -125.39, -77.94 -69.67, 105.65 -105.64, 33.0 281.38, 161.16 -76.22, -41.07 in-in in 9.1809 Saltbr-in 2.9453 HRD-in -81.43, -47.09 70.32, -0.2 in-in-in SNCiii in-in ActLoopNT-in 2.7468 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -83.75, 134.45 APE9-dihe-na 144.08, -171.31 APE8-dihe-in -102.11, 138.21 APE8-rot-in 300.04 APE67-dihe-in -91.64, -15.37 -61.65, -13.24 APE12-dist-in 9.2638 APE11-dist-in 11.5714 APE10-dist-in 5.62 APE9-dist-in 3.2776 None None None XRAY 3.1 0.232 0.27 A 688.0 618.0 0 26 26 0 [[191, 453]] 1.0 3krx Homo sapiens AGC_GRK2_HUMAN AGC 6.2e-77 267.6 1.0 260.0 260.0 334 335 336 338 340 220 239 243 314 316 315 317.0 373 360 355 354 353 352 351 350 349 272 Beta-adrenergic receptor kinase 1
AGC PRKACA KAPCA_MOUSE 1BX6A P05132 13 351 351.0 BA1:60351 Type1 Active DFGin 6.0974 14.2707 BLAminus -131.41, 157.86 79.35, 91.47 -96.7, 9.79 287.76, 86.24 -44.29, -77.97 in-in in 8.3994 Saltbr-in 2.6074 HRD-in -60.43, -49.37 65.58, 0.7 in-in-in SNCiii in-in ActLoopNT-in 3.1024 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -96.41, 136.41 APE9-dihe-na 139.93, 174.47 APE8-dihe-in -112.82, 117.81 APE8-rot-in 289.91 APE67-dihe-in -32.61, -31.36 -25.94, -76.91 APE12-dist-in 8.7332 APE11-dist-in 11.1899 APE10-dist-in 5.2412 APE9-dist-in 4.7598 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.1 0.21 0.34 A 350.0 339.0 0 25 25 0 [[44, 298]] 1.0 1bx6 Mus musculus AGC_PRKACA_MOUSE AGC 1.5e-94 322.1 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha

Ligand: BA1

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 1BX6A
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 PRKACA KAPCA_MOUSE 1BX6A P05132 13 351 351.0 BA1:60351 Type1 Active DFGin 6.0974 14.2707 BLAminus -131.41, 157.86 79.35, 91.47 -96.7, 9.79 287.76, 86.24 -44.29, -77.97 in-in in 8.3994 Saltbr-in 2.6074 HRD-in -60.43, -49.37 65.58, 0.7 in-in-in SNCiii in-in ActLoopNT-in 3.1024 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -96.41, 136.41 APE9-dihe-na 139.93, 174.47 APE8-dihe-in -112.82, 117.81 APE8-rot-in 289.91 APE67-dihe-in -32.61, -31.36 -25.94, -76.91 APE12-dist-in 8.7332 APE11-dist-in 11.1899 APE10-dist-in 5.2412 APE9-dist-in 4.7598 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.1 0.21 0.34 A 350.0 339.0 0 25 25 0 [[44, 298]] 1.0 1bx6 Mus musculus AGC_PRKACA_MOUSE AGC 1.5e-94 322.1 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha