Ligand: 4KK

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% 4YVEB
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 4YVEA Q13464 6 405 1354.0 4KK:60501 Type1 Active DFGin 5.6208 12.8068 BLAminus -135.63, 174.2 57.57, 62.47 -84.06, 54.44 321.53, 81.4 -64.54, -38.78 in-in in 8.3923 Saltbr-in 2.8393 HRD-in -66.81, -33.75 61.05, -11.49 in-in-in SNCiii in-in ActLoopNT-in 2.8908 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.37, 139.44 APE9-dihe-na 133.32, -156.65 APE8-dihe-in -109.47, 141.28 APE8-rot-in 300.76 APE67-dihe-in -87.71, -40.47 -52.3, -33.35 APE12-dist-in 11.916 APE11-dist-in 11.5401 APE10-dist-in 6.0064 APE9-dist-in 3.8404 None None None XRAY 3.4 0.219 0.244 A 415.0 390.0 4 29 29 0 [[76, 338]] 1.0 4yve 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 4YVEB Q13464 6 402 1354.0 4KK:60501 Type1 Inactive DFGin 5.9485 13.0345 BLAminus -142.15, 177.6 55.83, 66.0 -91.48, 48.79 310.94, 106.94 -71.74, -55.62 in-in in 8.4015 Saltbr-in 2.7056 HRD-in -79.37, -42.41 80.29, -49.62 in-in-out SNCiio in-out ActLoopNT-in 3.013 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -118.45, 127.42 APE9-dihe-na -99.77, 159.7 APE8-dihe-out 61.11, 72.27 APE8-rot-in 329.33 APE67-dihe-in -42.85, -44.14 -72.95, -1.39 APE12-dist-in 8.1935 APE11-dist-in 11.937 APE10-dist-in 7.8012 APE9-dist-out 10.5375 None None None XRAY 3.4 0.219 0.244 B 415.0 392.0 0 29 29 0 [[76, 338]] 1.0 4yve 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: 4KK

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% 4YVEB
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 4YVEA Q13464 6 405 1354.0 4KK:60501 Type1 Active DFGin 5.6208 12.8068 BLAminus -135.63, 174.2 57.57, 62.47 -84.06, 54.44 321.53, 81.4 -64.54, -38.78 in-in in 8.3923 Saltbr-in 2.8393 HRD-in -66.81, -33.75 61.05, -11.49 in-in-in SNCiii in-in ActLoopNT-in 2.8908 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.37, 139.44 APE9-dihe-na 133.32, -156.65 APE8-dihe-in -109.47, 141.28 APE8-rot-in 300.76 APE67-dihe-in -87.71, -40.47 -52.3, -33.35 APE12-dist-in 11.916 APE11-dist-in 11.5401 APE10-dist-in 6.0064 APE9-dist-in 3.8404 None None None XRAY 3.4 0.219 0.244 A 415.0 390.0 4 29 29 0 [[76, 338]] 1.0 4yve 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 4YVEB Q13464 6 402 1354.0 4KK:60501 Type1 Inactive DFGin 5.9485 13.0345 BLAminus -142.15, 177.6 55.83, 66.0 -91.48, 48.79 310.94, 106.94 -71.74, -55.62 in-in in 8.4015 Saltbr-in 2.7056 HRD-in -79.37, -42.41 80.29, -49.62 in-in-out SNCiio in-out ActLoopNT-in 3.013 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -118.45, 127.42 APE9-dihe-na -99.77, 159.7 APE8-dihe-out 61.11, 72.27 APE8-rot-in 329.33 APE67-dihe-in -42.85, -44.14 -72.95, -1.39 APE12-dist-in 8.1935 APE11-dist-in 11.937 APE10-dist-in 7.8012 APE9-dist-out 10.5375 None None None XRAY 3.4 0.219 0.244 B 415.0 392.0 0 29 29 0 [[76, 338]] 1.0 4yve 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

Ligand: 4KK

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