Ligand: 81G

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 5U7RA
DFGin BLAminus 1 25.0% 5U7RB
DFGin None 1 25.0% 5U7RD
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 ROCK2 ROCK2_HUMAN 5U7RA O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 6.021 13.3928 ABAminus -124.59, -51.34 -100.7, 98.55 -98.24, 10.15 301.55, 107.52 -53.67, -30.47 in-in in 8.8797 Saltbr-in 2.6738 HRD-in -86.61, -51.16 76.24, -9.42 in-in-out SNCiio in-out ActLoopNT-in 2.8386 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -101.07, 144.01 APE9-dihe-na 118.28, 178.92 APE8-dihe-in -78.19, 127.98 APE8-rot-out 37.97 APE67-dihe-in -75.92, -25.7 -48.83, -32.29 APE12-dist-in 10.0319 APE11-dist-in 11.6475 APE10-dist-in 5.6575 APE9-dist-in 4.1525 None None None XRAY 3.33 0.202 0.241 A 395.0 387.0 0 29 29 0 [[92, 354]] 1.0 5u7r AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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 5U7RC O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 5.9386 13.56 ABAminus -130.76, -53.46 -102.99, 94.4 -95.45, 17.91 300.98, 105.74 -67.72, -17.68 in-in in 8.525 Saltbr-in 2.8749 HRD-in -81.89, -48.76 85.63, -53.94 in-in-out SNCiio in-out ActLoopNT-in 3.1423 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiio APE10-dihe-na -119.26, 144.44 APE9-dihe-na -73.26, -103.48 APE8-dihe-in -77.65, 129.34 APE8-rot-out 33.83 APE67-dihe-in -30.2, -56.76 -78.66, -11.76 APE12-dist-out 6.0426 APE11-dist-in 9.4249 APE10-dist-in 7.6671 APE9-dist-out 9.9332 None None None XRAY 3.33 0.202 0.241 C 395.0 387.0 0 29 29 0 [[92, 354]] 1.0 5u7r AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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 5U7RB O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 5.7545 13.641 BLAminus -141.67, 175.83 55.92, 92.76 -111.9, 4.36 301.65, 97.85 -69.51, 58.89 in-in in 8.8502 Saltbr-in 2.5587 HRD-in -72.3, -58.92 77.62, -4.98 in-in-out SNCiio in-out ActLoopNT-in 3.0494 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -76.98, 141.69 APE9-dihe-na 134.81, 151.0 APE8-dihe-in -74.28, 133.5 APE8-rot-out 61.19 APE67-dihe-in -51.66, -36.53 -38.48, -66.38 APE12-dist-in 9.9046 APE11-dist-in 11.8182 APE10-dist-in 5.7763 APE9-dist-in 3.6428 None None None XRAY 3.33 0.202 0.241 B 395.0 387.0 0 29 29 0 [[92, 354]] 1.0 5u7r AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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 5U7RD O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 5.9914 13.6381 None -137.02, -44.53 -96.66, 83.52 -88.69, 16.85 303.92, 107.42 -55.18, -36.04 in-in in 8.7331 Saltbr-in 2.7396 HRD-in -81.59, -27.48 68.65, -73.51 in-in-out SNCiio in-out ActLoopNT-in 3.0332 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_onno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -137.68 APE8-dihe-in -113.15, 136.27 APE8-rot-out 64.84 APE67-dihe-in -28.57, -52.13 -70.74, -29.02 APE12-dist-out 6.8435 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.7119 None None None XRAY 3.33 0.202 0.241 D 395.0 382.0 5 29 27 2 [[92, 354]] 1.0 5u7r AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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: 81G

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 5U7RA
DFGin BLAminus 1 25.0% 5U7RB
DFGin None 1 25.0% 5U7RD
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 ROCK2 ROCK2_HUMAN 5U7RA O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 6.021 13.3928 ABAminus -124.59, -51.34 -100.7, 98.55 -98.24, 10.15 301.55, 107.52 -53.67, -30.47 in-in in 8.8797 Saltbr-in 2.6738 HRD-in -86.61, -51.16 76.24, -9.42 in-in-out SNCiio in-out ActLoopNT-in 2.8386 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -101.07, 144.01 APE9-dihe-na 118.28, 178.92 APE8-dihe-in -78.19, 127.98 APE8-rot-out 37.97 APE67-dihe-in -75.92, -25.7 -48.83, -32.29 APE12-dist-in 10.0319 APE11-dist-in 11.6475 APE10-dist-in 5.6575 APE9-dist-in 4.1525 None None None XRAY 3.33 0.202 0.241 A 395.0 387.0 0 29 29 0 [[92, 354]] 1.0 5u7r Homo sapiens AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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 5U7RC O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 5.9386 13.56 ABAminus -130.76, -53.46 -102.99, 94.4 -95.45, 17.91 300.98, 105.74 -67.72, -17.68 in-in in 8.525 Saltbr-in 2.8749 HRD-in -81.89, -48.76 85.63, -53.94 in-in-out SNCiio in-out ActLoopNT-in 3.1423 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiio APE10-dihe-na -119.26, 144.44 APE9-dihe-na -73.26, -103.48 APE8-dihe-in -77.65, 129.34 APE8-rot-out 33.83 APE67-dihe-in -30.2, -56.76 -78.66, -11.76 APE12-dist-out 6.0426 APE11-dist-in 9.4249 APE10-dist-in 7.6671 APE9-dist-out 9.9332 None None None XRAY 3.33 0.202 0.241 C 395.0 387.0 0 29 29 0 [[92, 354]] 1.0 5u7r Homo sapiens AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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 5U7RB O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 5.7545 13.641 BLAminus -141.67, 175.83 55.92, 92.76 -111.9, 4.36 301.65, 97.85 -69.51, 58.89 in-in in 8.8502 Saltbr-in 2.5587 HRD-in -72.3, -58.92 77.62, -4.98 in-in-out SNCiio in-out ActLoopNT-in 3.0494 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -76.98, 141.69 APE9-dihe-na 134.81, 151.0 APE8-dihe-in -74.28, 133.5 APE8-rot-out 61.19 APE67-dihe-in -51.66, -36.53 -38.48, -66.38 APE12-dist-in 9.9046 APE11-dist-in 11.8182 APE10-dist-in 5.7763 APE9-dist-in 3.6428 None None None XRAY 3.33 0.202 0.241 B 395.0 387.0 0 29 29 0 [[92, 354]] 1.0 5u7r Homo sapiens AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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 5U7RD O75116 25 417 1388.0 81G:500 Type1 Inactive DFGin 5.9914 13.6381 None -137.02, -44.53 -96.66, 83.52 -88.69, 16.85 303.92, 107.42 -55.18, -36.04 in-in in 8.7331 Saltbr-in 2.7396 HRD-in -81.59, -27.48 68.65, -73.51 in-in-out SNCiio in-out ActLoopNT-in 3.0332 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_onno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -137.68 APE8-dihe-in -113.15, 136.27 APE8-rot-out 64.84 APE67-dihe-in -28.57, -52.13 -70.74, -29.02 APE12-dist-out 6.8435 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.7119 None None None XRAY 3.33 0.202 0.241 D 395.0 382.0 5 29 27 2 [[92, 354]] 1.0 5u7r Homo sapiens AGC_ROCK2_HUMAN AGC 1.7e-93 318.5 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: 81G

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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