Ligand: O1S

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6P5MA
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 6P5MA O75116 18 417 1388.0 O1S:62500 Type1 Inactive DFGin 6.2632 13.4746 BLAminus -124.02, 171.64 60.38, 93.51 -113.45, 31.35 303.9, 98.44 -64.25, -25.91 in-in in 8.4947 Saltbr-in 2.8343 HRD-in -79.85, -57.22 94.02, -30.37 in-in-out SNCiio in-out ActLoopNT-in 2.9886 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iiio APE10-dihe-na -116.08, 168.2 APE9-dihe-na -93.6, -119.04 APE8-dihe-in -73.92, 129.61 APE8-rot-in 321.09 APE67-dihe-in -55.49, -37.68 -79.71, 0.19 APE12-dist-in 7.8013 APE11-dist-in 9.5024 APE10-dist-in 7.3888 APE9-dist-out 8.9426 F270Y None None XRAY 2.65 0.195 0.225 A 405.0 395.0 0 29 29 0 [[92, 354]] 1.0 6p5m AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 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 6P5MB O75116 18 417 1388.0 O1S:62500 Type1 Inactive DFGin 6.2513 13.6437 BLAminus -124.65, 169.29 60.65, 93.77 -114.08, 30.09 303.05, 96.36 -58.22, -30.22 in-in in 8.643 Saltbr-in 2.8309 HRD-in -79.09, -57.01 92.03, -28.0 in-in-out SNCiio in-out ActLoopNT-in 2.9838 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiio APE10-dihe-na -109.09, 158.86 APE9-dihe-na -92.72, -122.33 APE8-dihe-in -76.3, 130.79 APE8-rot-out 86.08 APE67-dihe-in -53.57, -38.7 -80.54, 4.1 APE12-dist-out 6.637 APE11-dist-in 9.2605 APE10-dist-in 7.384 APE9-dist-out 9.0942 F270Y None None XRAY 2.65 0.195 0.225 B 405.0 387.0 0 29 29 0 [[92, 354]] 1.0 6p5m AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 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: O1S

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6P5MA
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 6P5MA O75116 18 417 1388.0 O1S:62500 Type1 Inactive DFGin 6.2632 13.4746 BLAminus -124.02, 171.64 60.38, 93.51 -113.45, 31.35 303.9, 98.44 -64.25, -25.91 in-in in 8.4947 Saltbr-in 2.8343 HRD-in -79.85, -57.22 94.02, -30.37 in-in-out SNCiio in-out ActLoopNT-in 2.9886 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iiio APE10-dihe-na -116.08, 168.2 APE9-dihe-na -93.6, -119.04 APE8-dihe-in -73.92, 129.61 APE8-rot-in 321.09 APE67-dihe-in -55.49, -37.68 -79.71, 0.19 APE12-dist-in 7.8013 APE11-dist-in 9.5024 APE10-dist-in 7.3888 APE9-dist-out 8.9426 F270Y None None XRAY 2.65 0.195 0.225 A 405.0 395.0 0 29 29 0 [[92, 354]] 1.0 6p5m Homo sapiens AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 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 6P5MB O75116 18 417 1388.0 O1S:62500 Type1 Inactive DFGin 6.2513 13.6437 BLAminus -124.65, 169.29 60.65, 93.77 -114.08, 30.09 303.05, 96.36 -58.22, -30.22 in-in in 8.643 Saltbr-in 2.8309 HRD-in -79.09, -57.01 92.03, -28.0 in-in-out SNCiio in-out ActLoopNT-in 2.9838 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiio APE10-dihe-na -109.09, 158.86 APE9-dihe-na -92.72, -122.33 APE8-dihe-in -76.3, 130.79 APE8-rot-out 86.08 APE67-dihe-in -53.57, -38.7 -80.54, 4.1 APE12-dist-out 6.637 APE11-dist-in 9.2605 APE10-dist-in 7.384 APE9-dist-out 9.0942 F270Y None None XRAY 2.65 0.195 0.225 B 405.0 387.0 0 29 29 0 [[92, 354]] 1.0 6p5m Homo sapiens AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 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: O1S

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