Ligand: YEA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 8X8YB
DFGin BLAminus 1 50.0% 8X8YA
All chains - renumbered by
Uniprot PDB Alignment

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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 8X8YB O75116 29 417 1388.0 YEA:501 Type1 Inactive DFGin 6.145 13.096 ABAminus -143.12, -33.94 -106.09, 93.06 -90.35, 19.08 311.7, 96.3 -43.48, -33.82 in-in in 8.274 Saltbr-in 2.703 HRD-out -97.55, 96.59 -73.9, -11.34 in-in-out SNCiio in-out ActLoopNT-in 2.676 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iiio APE10-dihe-na -120.75, 154.61 APE9-dihe-na -77.81, -131.7 APE8-dihe-in -64.67, 142.4 APE8-rot-in 325.66 APE67-dihe-in -41.68, -27.46 -83.12, -16.83 APE12-dist-in 7.474 APE11-dist-in 8.067 APE10-dist-in 6.624 APE9-dist-out 9.586 None None None XRAY 3.2 0.185 0.243 B 391 381 2 0 0 2 [[92, 354]] 1.0 8x8y AGC_ROCK2_HUMAN AGC 2.2e-93 318.1 1 260 260 231 232 233 235 237 121 140 144 211 213 212 214 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8X8YA O75116 31 417 1388.0 YEA:501 Type1 Inactive DFGin 6.131 13.123 BLAminus -148.21, -169.14 44.6, 71.48 -91.3, 16.21 306.78, 89.53 -42.97, -27.25 in-in in 8.402 Saltbr-in 2.828 HRD-out -91.42, 96.9 -78.93, 1.22 in-in-out SNCiio in-out ActLoopNT-in 2.964 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -122.94, 153.9 APE9-dihe-na 130.12, -144.45 APE8-dihe-in -138.71, 148.43 APE8-rot-out 78.56 APE67-dihe-in -57.28, -22.24 -69.59, -38.91 APE12-dist-in 10.854 APE11-dist-in 11.829 APE10-dist-in 5.997 APE9-dist-in 4.052 None None None XRAY 3.2 0.185 0.243 A 391 378 0 0 0 0 [[92, 354]] 1.0 8x8y AGC_ROCK2_HUMAN AGC 2.2e-93 318.1 1 260 260 231 232 233 235 237 121 140 144 211 213 212 214 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

Ligand: YEA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 8X8YB
DFGin BLAminus 1 50.0% 8X8YA
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 8X8YB O75116 29 417 1388.0 YEA:501 Type1 Inactive DFGin 6.145 13.096 ABAminus -143.12, -33.94 -106.09, 93.06 -90.35, 19.08 311.7, 96.3 -43.48, -33.82 in-in in 8.274 Saltbr-in 2.703 HRD-out -97.55, 96.59 -73.9, -11.34 in-in-out SNCiio in-out ActLoopNT-in 2.676 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iiio APE10-dihe-na -120.75, 154.61 APE9-dihe-na -77.81, -131.7 APE8-dihe-in -64.67, 142.4 APE8-rot-in 325.66 APE67-dihe-in -41.68, -27.46 -83.12, -16.83 APE12-dist-in 7.474 APE11-dist-in 8.067 APE10-dist-in 6.624 APE9-dist-out 9.586 None None None XRAY 3.2 0.185 0.243 B 391 381 2 0 0 2 [[92, 354]] 1.0 8x8y Homo sapiens AGC_ROCK2_HUMAN AGC 2.2e-93 318.1 1 260 260 231 232 233 235 237 121 140 144 211 213 212 214 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8X8YA O75116 31 417 1388.0 YEA:501 Type1 Inactive DFGin 6.131 13.123 BLAminus -148.21, -169.14 44.6, 71.48 -91.3, 16.21 306.78, 89.53 -42.97, -27.25 in-in in 8.402 Saltbr-in 2.828 HRD-out -91.42, 96.9 -78.93, 1.22 in-in-out SNCiio in-out ActLoopNT-in 2.964 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -122.94, 153.9 APE9-dihe-na 130.12, -144.45 APE8-dihe-in -138.71, 148.43 APE8-rot-out 78.56 APE67-dihe-in -57.28, -22.24 -69.59, -38.91 APE12-dist-in 10.854 APE11-dist-in 11.829 APE10-dist-in 5.997 APE9-dist-in 4.052 None None None XRAY 3.2 0.185 0.243 A 391 378 0 0 0 0 [[92, 354]] 1.0 8x8y Homo sapiens AGC_ROCK2_HUMAN AGC 2.2e-93 318.1 1 260 260 231 232 233 235 237 121 140 144 211 213 212 214 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

Ligand: YEA

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