Ligand: J0P

Total number of chains: 4
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 6E9WA
DFGin BLAminus 2 50.0% 6ED6A
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 6E9WA Q13464 9 404 1354.0 J0P:501 Type1 Inactive DFGin 5.9399 12.9073 ABAminus -138.73, -20.79 -111.43, 114.1 -109.17, 19.11 307.72, 100.2 -59.06, -19.52 in-in in 8.7399 Saltbr-in 2.8039 HRD-in -69.49, -44.89 71.41, -17.92 in-in-in SNCiii in-in ActLoopNT-in 3.0534 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.98, 148.51 APE9-dihe-na 125.0, -143.28 APE8-dihe-in -119.0, 136.17 APE8-rot-in 293.48 APE67-dihe-in -80.63, -46.93 -50.48, -33.35 APE12-dist-in 11.4614 APE11-dist-in 11.3244 APE10-dist-in 5.6173 APE9-dist-in 4.16 None None None XRAY 2.96 0.197 0.255 A 443.0 383.0 5 29 29 0 [[76, 338]] 1.0 6e9w AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 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 6E9WB Q13464 7 401 1354.0 J0P:501 Type1 Inactive DFGin 6.1308 13.2322 ABAminus -138.25, -17.0 -112.71, 103.23 -100.64, 12.5 302.93, 104.22 -62.68, -19.69 in-in in 8.5718 Saltbr-in 2.8586 HRD-in -74.05, -53.13 88.59, -33.91 in-in-out SNCiio in-out ActLoopNT-in 3.0303 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -80.59, -50.75 APE9-dihe-na 100.48, -142.0 APE8-dihe-in -66.64, 110.65 APE8-rot-in 303.29 APE67-dihe-in -27.98, -53.24 -75.85, -16.15 APE12-dist-in 9.3672 APE11-dist-in 11.627 APE10-dist-out 9.9117 APE9-dist-out 10.033 None None None XRAY 2.96 0.197 0.255 B 443.0 380.0 9 29 29 0 [[76, 338]] 1.0 6e9w AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 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 ROCK2 ROCK2_HUMAN 6ED6A O75116 27 415 1388.0 J0P:501 Type1 Active DFGin 6.4785 13.3609 BLAminus -145.19, 179.01 60.98, 63.29 -87.07, 23.13 303.43, 107.85 -60.41, -48.86 in-in in 8.5317 Saltbr-in 2.7436 HRD-in -56.44, -54.27 71.45, -18.59 in-in-in SNCiii in-in ActLoopNT-in 3.4387 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.8, 126.02 APE9-dihe-na 153.03, -163.23 APE8-dihe-in -114.06, 130.07 APE8-rot-in 328.57 APE67-dihe-in -55.65, -29.13 -25.97, -72.15 APE12-dist-in 10.492 APE11-dist-in 11.3819 APE10-dist-in 5.5534 APE9-dist-in 3.9599 None None None XRAY 2.86 0.206 0.247 A 415.0 378.0 4 29 29 0 [[92, 354]] 1.0 6ed6 AGC_ROCK2_HUMAN AGC 2.6e-93 317.9 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6ED6B O75116 28 416 1388.0 J0P:501 Type1.5_Front Inactive DFGin 6.3994 13.1828 BLAminus -141.53, 178.3 54.07, 109.38 -133.99, 38.6 302.74, 88.83 -73.72, -23.58 in-in in 8.5374 Saltbr-in 2.8145 HRD-in -63.89, -44.38 75.08, -45.12 in-in-out SNCiio in-out ActLoopNT-in 3.5735 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -112.55 APE8-dihe-in -56.82, 118.75 APE8-rot-in 295.99 APE67-dihe-in -40.0, -36.43 -89.99, -12.73 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.0585 None None None XRAY 2.86 0.206 0.247 B 415.0 364.0 18 29 17 12 [[92, 354]] 1.0 6ed6 AGC_ROCK2_HUMAN AGC 2.6e-93 317.9 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

Ligand: J0P

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 6E9LA
DFGin ABAminus 2 40.0% 6E9WA
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_BOVIN 6E9LA P00517 18 351 351.0 J0P:60401 Type1 Active DFGin 6.4992 14.4033 BLAminus -98.87, -153.44 32.95, 78.78 -89.6, 15.58 275.81, 59.68 -55.89, -23.51 in-in in 8.8735 Saltbr-in 2.7663 HRD-in -69.86, -50.02 57.75, 17.6 in-in-in SNCiii in-in ActLoopNT-in 3.0358 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.26, 159.36 APE9-dihe-na 132.47, -166.61 APE8-dihe-in -110.57, 132.03 APE8-rot-in 295.04 APE67-dihe-in -57.99, -24.14 -37.74, -55.31 APE12-dist-in 7.9954 APE11-dist-in 11.7663 APE10-dist-in 6.1939 APE9-dist-in 4.0725 None TPO198,SEP339 TPO198,SEP339 XRAY 2.8 0.198 0.271 A 351.0 334.0 0 25 25 0 [[44, 298]] 1.0 6e9l Bos taurus AGC_PRKACA_BOVIN AGC 1.3e-94 322.2 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
AGC ROCK1 ROCK1_HUMAN 6E9WA Q13464 9 404 1354.0 J0P:501 Type1 Inactive DFGin 5.9399 12.9073 ABAminus -138.73, -20.79 -111.43, 114.1 -109.17, 19.11 307.72, 100.2 -59.06, -19.52 in-in in 8.7399 Saltbr-in 2.8039 HRD-in -69.49, -44.89 71.41, -17.92 in-in-in SNCiii in-in ActLoopNT-in 3.0534 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.98, 148.51 APE9-dihe-na 125.0, -143.28 APE8-dihe-in -119.0, 136.17 APE8-rot-in 293.48 APE67-dihe-in -80.63, -46.93 -50.48, -33.35 APE12-dist-in 11.4614 APE11-dist-in 11.3244 APE10-dist-in 5.6173 APE9-dist-in 4.16 None None None XRAY 2.96 0.197 0.255 A 443.0 383.0 5 29 29 0 [[76, 338]] 1.0 6e9w Homo sapiens AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 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 6E9WB Q13464 7 401 1354.0 J0P:501 Type1 Inactive DFGin 6.1308 13.2322 ABAminus -138.25, -17.0 -112.71, 103.23 -100.64, 12.5 302.93, 104.22 -62.68, -19.69 in-in in 8.5718 Saltbr-in 2.8586 HRD-in -74.05, -53.13 88.59, -33.91 in-in-out SNCiio in-out ActLoopNT-in 3.0303 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -80.59, -50.75 APE9-dihe-na 100.48, -142.0 APE8-dihe-in -66.64, 110.65 APE8-rot-in 303.29 APE67-dihe-in -27.98, -53.24 -75.85, -16.15 APE12-dist-in 9.3672 APE11-dist-in 11.627 APE10-dist-out 9.9117 APE9-dist-out 10.033 None None None XRAY 2.96 0.197 0.255 B 443.0 380.0 9 29 29 0 [[76, 338]] 1.0 6e9w Homo sapiens AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 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 ROCK2 ROCK2_HUMAN 6ED6A O75116 27 415 1388.0 J0P:501 Type1 Active DFGin 6.4785 13.3609 BLAminus -145.19, 179.01 60.98, 63.29 -87.07, 23.13 303.43, 107.85 -60.41, -48.86 in-in in 8.5317 Saltbr-in 2.7436 HRD-in -56.44, -54.27 71.45, -18.59 in-in-in SNCiii in-in ActLoopNT-in 3.4387 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.8, 126.02 APE9-dihe-na 153.03, -163.23 APE8-dihe-in -114.06, 130.07 APE8-rot-in 328.57 APE67-dihe-in -55.65, -29.13 -25.97, -72.15 APE12-dist-in 10.492 APE11-dist-in 11.3819 APE10-dist-in 5.5534 APE9-dist-in 3.9599 None None None XRAY 2.86 0.206 0.247 A 415.0 378.0 4 29 29 0 [[92, 354]] 1.0 6ed6 Homo sapiens AGC_ROCK2_HUMAN AGC 2.6e-93 317.9 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6ED6B O75116 28 416 1388.0 J0P:501 Type1.5_Front Inactive DFGin 6.3994 13.1828 BLAminus -141.53, 178.3 54.07, 109.38 -133.99, 38.6 302.74, 88.83 -73.72, -23.58 in-in in 8.5374 Saltbr-in 2.8145 HRD-in -63.89, -44.38 75.08, -45.12 in-in-out SNCiio in-out ActLoopNT-in 3.5735 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -112.55 APE8-dihe-in -56.82, 118.75 APE8-rot-in 295.99 APE67-dihe-in -40.0, -36.43 -89.99, -12.73 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.0585 None None None XRAY 2.86 0.206 0.247 B 415.0 364.0 18 29 17 12 [[92, 354]] 1.0 6ed6 Homo sapiens AGC_ROCK2_HUMAN AGC 2.6e-93 317.9 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

Ligand: J0P

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% 6E9LA
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_BOVIN 6E9LA P00517 18 351 351.0 J0P:60401 Type1 Active DFGin 6.4992 14.4033 BLAminus -98.87, -153.44 32.95, 78.78 -89.6, 15.58 275.81, 59.68 -55.89, -23.51 in-in in 8.8735 Saltbr-in 2.7663 HRD-in -69.86, -50.02 57.75, 17.6 in-in-in SNCiii in-in ActLoopNT-in 3.0358 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.26, 159.36 APE9-dihe-na 132.47, -166.61 APE8-dihe-in -110.57, 132.03 APE8-rot-in 295.04 APE67-dihe-in -57.99, -24.14 -37.74, -55.31 APE12-dist-in 7.9954 APE11-dist-in 11.7663 APE10-dist-in 6.1939 APE9-dist-in 4.0725 None TPO198,SEP339 TPO198,SEP339 XRAY 2.8 0.198 0.271 A 351.0 334.0 0 25 25 0 [[44, 298]] 1.0 6e9l Bos taurus AGC_PRKACA_BOVIN AGC 1.3e-94 322.2 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