Ligand: 3ND

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 3NDMB
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 3NDMB Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.5765 13.2915 ABAminus -135.55, -20.22 -111.5, 137.71 -126.94, 16.16 300.9, 101.92 -51.55, 28.77 in-in in 9.0542 Saltbr-in 3.1387 HRD-in -67.67, -67.76 85.4, 21.53 in-in-out SNCiio in-out ActLoopNT-in 2.7955 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -145.13, 142.73 APE9-dihe-na 132.91, -126.28 APE8-dihe-in -146.05, 131.58 APE8-rot-out 3.64 APE67-dihe-in -75.87, -9.86 -31.39, -53.34 APE12-dist-in 10.7059 APE11-dist-in 11.0971 APE10-dist-in 5.4913 APE9-dist-in 3.7819 None None None XRAY 3.3 0.244 0.31 B 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm 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 3NDMC Q13464 6 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.9921 13.6351 ABAminus -126.83, -28.62 -112.07, 139.0 -136.27, 9.02 298.66, 85.88 -64.37, 58.3 in-in in 9.0951 Saltbr-in 2.6058 HRD-in -61.33, -59.76 82.3, 14.91 in-in-none SNCiin in-none ActLoopNT-in 2.9786 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 133.83 APE8-rot-in 289.24 APE67-dihe-in -57.51, 0.5 -55.13, -56.25 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.3 0.244 0.31 C 415.0 370.0 27 29 24 5 [[76, 338]] 1.0 3ndm 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 3NDMD Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.558 12.9152 ABAminus -131.86, -23.53 -116.86, 142.93 -139.56, 15.34 308.38, 98.2 -65.61, 50.23 in-in in 8.8971 Saltbr-in 3.2923 HRD-in -62.78, -65.01 82.89, 25.17 in-in-in SNCiii in-in ActLoopNT-in 2.9255 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.27, 144.78 APE9-dihe-na 137.32, -133.95 APE8-dihe-in -135.6, 138.94 APE8-rot-in 312.66 APE67-dihe-in -58.83, -6.42 -51.7, -57.53 APE12-dist-in 10.7261 APE11-dist-in 11.1225 APE10-dist-in 5.5252 APE9-dist-in 3.9665 None None None XRAY 3.3 0.244 0.31 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm 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: 3ND

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 3NDMB
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 3NDMB Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.5765 13.2915 ABAminus -135.55, -20.22 -111.5, 137.71 -126.94, 16.16 300.9, 101.92 -51.55, 28.77 in-in in 9.0542 Saltbr-in 3.1387 HRD-in -67.67, -67.76 85.4, 21.53 in-in-out SNCiio in-out ActLoopNT-in 2.7955 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -145.13, 142.73 APE9-dihe-na 132.91, -126.28 APE8-dihe-in -146.05, 131.58 APE8-rot-out 3.64 APE67-dihe-in -75.87, -9.86 -31.39, -53.34 APE12-dist-in 10.7059 APE11-dist-in 11.0971 APE10-dist-in 5.4913 APE9-dist-in 3.7819 None None None XRAY 3.3 0.244 0.31 B 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm 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 3NDMC Q13464 6 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.9921 13.6351 ABAminus -126.83, -28.62 -112.07, 139.0 -136.27, 9.02 298.66, 85.88 -64.37, 58.3 in-in in 9.0951 Saltbr-in 2.6058 HRD-in -61.33, -59.76 82.3, 14.91 in-in-none SNCiin in-none ActLoopNT-in 2.9786 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 133.83 APE8-rot-in 289.24 APE67-dihe-in -57.51, 0.5 -55.13, -56.25 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.3 0.244 0.31 C 415.0 370.0 27 29 24 5 [[76, 338]] 1.0 3ndm 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 3NDMD Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.558 12.9152 ABAminus -131.86, -23.53 -116.86, 142.93 -139.56, 15.34 308.38, 98.2 -65.61, 50.23 in-in in 8.8971 Saltbr-in 3.2923 HRD-in -62.78, -65.01 82.89, 25.17 in-in-in SNCiii in-in ActLoopNT-in 2.9255 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.27, 144.78 APE9-dihe-na 137.32, -133.95 APE8-dihe-in -135.6, 138.94 APE8-rot-in 312.66 APE67-dihe-in -58.83, -6.42 -51.7, -57.53 APE12-dist-in 10.7261 APE11-dist-in 11.1225 APE10-dist-in 5.5252 APE9-dist-in 3.9665 None None None XRAY 3.3 0.244 0.31 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm 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: 3ND

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