Ligand: HFS

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 2ETKA
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 ROCK1 ROCK1_HUMAN 2ETKA Q13464 6 405 1354.0 HFS:60416 Type1 Active DFGin 6.0593 14.0965 BLAminus -116.57, 151.42 65.52, 106.25 -118.99, 38.28 303.23, 95.7 -62.53, -30.1 in-in in 9.0237 Saltbr-in 3.0869 HRD-in -67.16, -45.15 69.82, -9.8 in-in-in SNCiii in-in ActLoopNT-in 3.2241 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.46, 135.93 APE9-dihe-na 138.1, -153.58 APE8-dihe-in -121.49, 133.91 APE8-rot-in 318.16 APE67-dihe-in -78.08, -32.49 -44.0, -39.32 APE12-dist-in 11.8404 APE11-dist-in 11.5458 APE10-dist-in 5.8563 APE9-dist-in 3.7375 None None None XRAY 2.96 0.278 0.298 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2etk AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
AGC ROCK1 ROCK1_HUMAN 2ETKB Q13464 6 402 1354.0 HFS:60416 Type1 Inactive DFGin 6.0988 14.0359 BLAminus -119.07, 154.83 65.29, 101.07 -117.09, 36.18 302.09, 93.41 -68.48, -4.85 in-in in 9.0892 Saltbr-in 3.243 HRD-in -65.95, -45.05 68.6, -11.17 in-in-out SNCiio in-out ActLoopNT-in 3.2092 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -71.16, 135.51 APE9-dihe-na -102.49, 125.46 APE8-dihe-out 53.01, 88.66 APE8-rot-out 64.43 APE67-dihe-in -46.44, -46.86 -71.84, 0.84 APE12-dist-in 8.5086 APE11-dist-in 12.7455 APE10-dist-out 10.6258 APE9-dist-out 9.2018 None None None XRAY 2.96 0.278 0.298 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2etk AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1

Ligand: HFS

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 2ERZE
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 ROCK1 ROCK1_HUMAN 2ETKA Q13464 6 405 1354.0 HFS:60416 Type1 Active DFGin 6.0593 14.0965 BLAminus -116.57, 151.42 65.52, 106.25 -118.99, 38.28 303.23, 95.7 -62.53, -30.1 in-in in 9.0237 Saltbr-in 3.0869 HRD-in -67.16, -45.15 69.82, -9.8 in-in-in SNCiii in-in ActLoopNT-in 3.2241 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.46, 135.93 APE9-dihe-na 138.1, -153.58 APE8-dihe-in -121.49, 133.91 APE8-rot-in 318.16 APE67-dihe-in -78.08, -32.49 -44.0, -39.32 APE12-dist-in 11.8404 APE11-dist-in 11.5458 APE10-dist-in 5.8563 APE9-dist-in 3.7375 None None None XRAY 2.96 0.278 0.298 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2etk Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
AGC ROCK1 ROCK1_HUMAN 2ETKB Q13464 6 402 1354.0 HFS:60416 Type1 Inactive DFGin 6.0988 14.0359 BLAminus -119.07, 154.83 65.29, 101.07 -117.09, 36.18 302.09, 93.41 -68.48, -4.85 in-in in 9.0892 Saltbr-in 3.243 HRD-in -65.95, -45.05 68.6, -11.17 in-in-out SNCiio in-out ActLoopNT-in 3.2092 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -71.16, 135.51 APE9-dihe-na -102.49, 125.46 APE8-dihe-out 53.01, 88.66 APE8-rot-out 64.43 APE67-dihe-in -46.44, -46.86 -71.84, 0.84 APE12-dist-in 8.5086 APE11-dist-in 12.7455 APE10-dist-out 10.6258 APE9-dist-out 9.2018 None None None XRAY 2.96 0.278 0.298 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2etk Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
AGC PRKACA KAPCA_MOUSE 2ERZE P05132 16 351 351.0 HFS:60351 Type1 Active DFGin 5.8621 14.2868 BLAminus -120.01, 167.35 70.07, 90.43 -101.1, 32.12 275.39, 49.09 -53.89, -29.79 in-in in 9.0354 Saltbr-in 2.6896 HRD-in -71.67, -48.74 64.28, 7.57 in-in-in SNCiii in-in ActLoopNT-in 2.9432 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.95, 164.31 APE9-dihe-na 126.82, -161.82 APE8-dihe-in -117.41, 128.23 APE8-rot-in 308.76 APE67-dihe-in -49.78, -31.46 -30.24, -67.82 APE12-dist-in 8.1923 APE11-dist-in 11.4229 APE10-dist-in 5.9098 APE9-dist-in 3.5597 None TPO198,SEP339 TPO198,SEP339 XRAY 2.2 0.227 0.287 E 351.0 336.0 0 25 25 0 [[44, 298]] 1.0 2erz 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: HFS

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% 2ERZE
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 2ERZE P05132 16 351 351.0 HFS:60351 Type1 Active DFGin 5.8621 14.2868 BLAminus -120.01, 167.35 70.07, 90.43 -101.1, 32.12 275.39, 49.09 -53.89, -29.79 in-in in 9.0354 Saltbr-in 2.6896 HRD-in -71.67, -48.74 64.28, 7.57 in-in-in SNCiii in-in ActLoopNT-in 2.9432 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.95, 164.31 APE9-dihe-na 126.82, -161.82 APE8-dihe-in -117.41, 128.23 APE8-rot-in 308.76 APE67-dihe-in -49.78, -31.46 -30.24, -67.82 APE12-dist-in 8.1923 APE11-dist-in 11.4229 APE10-dist-in 5.9098 APE9-dist-in 3.5597 None TPO198,SEP339 TPO198,SEP339 XRAY 2.2 0.227 0.287 E 351.0 336.0 0 25 25 0 [[44, 298]] 1.0 2erz 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