Ligand: 6U1

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% 5KKSA
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 5KKSA Q13464 6 405 1354.0 6U1:60501 Type1 Active DFGin 6.1858 13.3524 BLAminus -142.64, 177.27 59.6, 62.04 -81.65, 21.26 304.3, 101.28 -54.79, -41.15 in-in in 8.259 Saltbr-in 2.7539 HRD-in -54.42, -38.35 63.96, -11.55 in-in-in SNCiii in-in ActLoopNT-in 3.0779 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.2, 147.03 APE9-dihe-na 120.6, -151.04 APE8-dihe-in -115.4, 140.07 APE8-rot-in 299.71 APE67-dihe-in -59.58, -43.85 -44.15, -59.93 APE12-dist-in 11.8871 APE11-dist-in 11.441 APE10-dist-in 5.829 APE9-dist-in 3.7483 None None None XRAY 3.3 0.215 0.254 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5kks 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 5KKSB Q13464 6 402 1354.0 6U1:60501 Type1.5_Front Inactive DFGin 6.1398 13.3356 BLAminus -142.66, 177.11 58.73, 60.85 -80.32, 21.73 304.44, 101.0 -56.11, -39.34 in-in in 8.227 Saltbr-in 2.7464 HRD-in -68.72, -42.28 78.49, -44.71 in-in-out SNCiio in-out ActLoopNT-in 3.0698 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -104.48, 133.16 APE9-dihe-na -95.73, 130.38 APE8-dihe-out 63.66, 89.81 APE8-rot-out 67.34 APE67-dihe-in -44.41, -53.62 -78.83, 5.04 APE12-dist-in 8.7146 APE11-dist-in 12.1744 APE10-dist-out 8.6492 APE9-dist-out 10.2132 None None None XRAY 3.3 0.215 0.254 B 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5kks 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: 6U1

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% 5KKSA
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 5KKSA Q13464 6 405 1354.0 6U1:60501 Type1 Active DFGin 6.1858 13.3524 BLAminus -142.64, 177.27 59.6, 62.04 -81.65, 21.26 304.3, 101.28 -54.79, -41.15 in-in in 8.259 Saltbr-in 2.7539 HRD-in -54.42, -38.35 63.96, -11.55 in-in-in SNCiii in-in ActLoopNT-in 3.0779 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.2, 147.03 APE9-dihe-na 120.6, -151.04 APE8-dihe-in -115.4, 140.07 APE8-rot-in 299.71 APE67-dihe-in -59.58, -43.85 -44.15, -59.93 APE12-dist-in 11.8871 APE11-dist-in 11.441 APE10-dist-in 5.829 APE9-dist-in 3.7483 None None None XRAY 3.3 0.215 0.254 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5kks 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 5KKSB Q13464 6 402 1354.0 6U1:60501 Type1.5_Front Inactive DFGin 6.1398 13.3356 BLAminus -142.66, 177.11 58.73, 60.85 -80.32, 21.73 304.44, 101.0 -56.11, -39.34 in-in in 8.227 Saltbr-in 2.7464 HRD-in -68.72, -42.28 78.49, -44.71 in-in-out SNCiio in-out ActLoopNT-in 3.0698 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -104.48, 133.16 APE9-dihe-na -95.73, 130.38 APE8-dihe-out 63.66, 89.81 APE8-rot-out 67.34 APE67-dihe-in -44.41, -53.62 -78.83, 5.04 APE12-dist-in 8.7146 APE11-dist-in 12.1744 APE10-dist-out 8.6492 APE9-dist-out 10.2132 None None None XRAY 3.3 0.215 0.254 B 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5kks 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: 6U1

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