Ligand: XOO

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 8UW7A
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 AKT1 AKT1_HUMAN 8UVYA P31749 3 439 480.0 XOO:60502 Allosteric Inactive DFGout 19.1466 9.1172 BBAminus -87.71, 159.46 -125.79, 51.81 -104.71, 8.89 306.76, 157.9 -76.01, 144.81 none-none none 999.0 Saltbr-none 999.0 HRD-in -80.44, -49.7 65.22, 18.47 none-out-out SNCnoo out-out ActLoopNT-out 15.3291 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iiio APE10-dihe-na -75.27, -63.55 APE9-dihe-na -84.1, -150.14 APE8-dihe-in -112.51, 118.73 APE8-rot-in 303.11 APE67-dihe-in -70.02, -8.73 -61.09, -34.89 APE12-dist-in 11.5093 APE11-dist-in 11.9129 APE10-dist-in 7.7033 APE9-dist-out 6.5608 E17K None None XRAY 2.11 0.209 0.255 A 438.0 396.0 21 28 21 7 [[150, 408]] 1.0 8uvy AGC_AKT1_HUMAN AGC 4.9e-99 336.8 1.0 260.0 260.0 291 292 293 295 297 179 198 202 271 273 272 274.0 331 319 314 313 312 311 310 309 308 228 RAC-alpha serine/threonine-protein kinase
AGC AKT1 AKT1_HUMAN 8UW2A P31749 4 437 480.0 XOO:60502 Allosteric Inactive DFGout 19.5938 9.1742 BBAminus -85.5, 157.67 -121.72, 55.74 -105.08, 2.24 304.7, 161.96 -67.3, 146.74 none-none none 999.0 Saltbr-none 999.0 HRD-in -75.89, -48.3 59.85, 6.57 none-out-out SNCnoo out-out ActLoopNT-out 13.6727 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -78.7, 9.37 APE9-dihe-na -151.7, -145.87 APE8-dihe-in -109.15, 106.27 APE8-rot-out 18.96 APE67-dihe-in -70.15, -8.9 -92.15, -6.4 APE12-dist-out 18.0567 APE11-dist-out 14.765 APE10-dist-out 10.6042 APE9-dist-out 11.153 None None None XRAY 2.2 0.223 0.279 A 438.0 392.0 19 28 21 7 [[150, 408]] 1.0 8uw2 AGC_AKT1_HUMAN AGC 4.9e-99 336.8 1.0 260.0 260.0 291 292 293 295 297 179 198 202 271 273 272 274.0 331 319 314 313 312 311 310 309 308 228 RAC-alpha serine/threonine-protein kinase
AGC AKT1 AKT1_HUMAN 8UW7A P31749 3 439 480.0 XOO:60502 Allosteric Inactive DFGout 19.2684 9.1308 BBAminus -88.27, 162.56 -129.0, 47.08 -101.62, 6.17 304.62, 157.46 -65.02, 141.6 out-out out 14.1846 Saltbr-out 16.1635 HRD-in -77.74, -48.14 69.36, -7.13 out-out-out SNCooo out-out ActLoopNT-out 15.1332 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 168.57 APE8-dihe-in -110.93, 76.79 APE8-rot-out 38.95 APE67-dihe-in -76.05, -14.39 -64.32, -17.63 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8313 None None YCM77,YCM296 XRAY 1.972 0.22 0.265 A 438.0 399.0 17 28 16 12 [[150, 408]] 1.0 8uw7 AGC_AKT1_HUMAN AGC 4.9e-99 336.8 1.0 260.0 260.0 291 292 293 295 297 179 198 202 271 273 272 274.0 331 319 314 313 312 311 310 309 308 228 RAC-alpha serine/threonine-protein kinase
AGC AKT2 AKT2_HUMAN 9C1WA P31751 3 440 481.0 XOO:501 Allosteric Inactive DFGout 19.216 8.694 BBAminus -83.52, 155.45 -120.63, 49.83 -105.5, 7.82 304.69, 159.06 -62.82, 151.74 out-out out 13.6619 Saltbr-out 13.2123 HRD-in -78.89, -48.84 68.68, 2.96 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -152.67 APE8-dihe-in -117.72, 106.37 APE8-rot-out 64.01 APE67-dihe-in -60.58, -16.49 -68.37, -26.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 8.7256 P115A,G116A None None XRAY 2.0 0.207 0.242 A 446.0 388.0 19 28 14 14 [[152, 409]] 1.0 9c1w AGC_AKT2_HUMAN AGC 4.1e-99 336.9 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase

Ligand: XOO

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 8UW7A
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 AKT1 AKT1_HUMAN 8UVYA P31749 3 439 480.0 XOO:60502 Allosteric Inactive DFGout 19.1466 9.1172 BBAminus -87.71, 159.46 -125.79, 51.81 -104.71, 8.89 306.76, 157.9 -76.01, 144.81 none-none none 999.0 Saltbr-none 999.0 HRD-in -80.44, -49.7 65.22, 18.47 none-out-out SNCnoo out-out ActLoopNT-out 15.3291 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iiio APE10-dihe-na -75.27, -63.55 APE9-dihe-na -84.1, -150.14 APE8-dihe-in -112.51, 118.73 APE8-rot-in 303.11 APE67-dihe-in -70.02, -8.73 -61.09, -34.89 APE12-dist-in 11.5093 APE11-dist-in 11.9129 APE10-dist-in 7.7033 APE9-dist-out 6.5608 E17K None None XRAY 2.11 0.209 0.255 A 438.0 396.0 21 28 21 7 [[150, 408]] 1.0 8uvy Homo sapiens AGC_AKT1_HUMAN AGC 4.9e-99 336.8 1.0 260.0 260.0 291 292 293 295 297 179 198 202 271 273 272 274.0 331 319 314 313 312 311 310 309 308 228 RAC-alpha serine/threonine-protein kinase
AGC AKT1 AKT1_HUMAN 8UW2A P31749 4 437 480.0 XOO:60502 Allosteric Inactive DFGout 19.5938 9.1742 BBAminus -85.5, 157.67 -121.72, 55.74 -105.08, 2.24 304.7, 161.96 -67.3, 146.74 none-none none 999.0 Saltbr-none 999.0 HRD-in -75.89, -48.3 59.85, 6.57 none-out-out SNCnoo out-out ActLoopNT-out 13.6727 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -78.7, 9.37 APE9-dihe-na -151.7, -145.87 APE8-dihe-in -109.15, 106.27 APE8-rot-out 18.96 APE67-dihe-in -70.15, -8.9 -92.15, -6.4 APE12-dist-out 18.0567 APE11-dist-out 14.765 APE10-dist-out 10.6042 APE9-dist-out 11.153 None None None XRAY 2.2 0.223 0.279 A 438.0 392.0 19 28 21 7 [[150, 408]] 1.0 8uw2 Homo sapiens AGC_AKT1_HUMAN AGC 4.9e-99 336.8 1.0 260.0 260.0 291 292 293 295 297 179 198 202 271 273 272 274.0 331 319 314 313 312 311 310 309 308 228 RAC-alpha serine/threonine-protein kinase
AGC AKT1 AKT1_HUMAN 8UW7A P31749 3 439 480.0 XOO:60502 Allosteric Inactive DFGout 19.2684 9.1308 BBAminus -88.27, 162.56 -129.0, 47.08 -101.62, 6.17 304.62, 157.46 -65.02, 141.6 out-out out 14.1846 Saltbr-out 16.1635 HRD-in -77.74, -48.14 69.36, -7.13 out-out-out SNCooo out-out ActLoopNT-out 15.1332 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 168.57 APE8-dihe-in -110.93, 76.79 APE8-rot-out 38.95 APE67-dihe-in -76.05, -14.39 -64.32, -17.63 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8313 None None YCM77,YCM296 XRAY 1.972 0.22 0.265 A 438.0 399.0 17 28 16 12 [[150, 408]] 1.0 8uw7 Homo sapiens AGC_AKT1_HUMAN AGC 4.9e-99 336.8 1.0 260.0 260.0 291 292 293 295 297 179 198 202 271 273 272 274.0 331 319 314 313 312 311 310 309 308 228 RAC-alpha serine/threonine-protein kinase
AGC AKT2 AKT2_HUMAN 9C1WA P31751 3 440 481.0 XOO:501 Allosteric Inactive DFGout 19.216 8.694 BBAminus -83.52, 155.45 -120.63, 49.83 -105.5, 7.82 304.69, 159.06 -62.82, 151.74 out-out out 13.6619 Saltbr-out 13.2123 HRD-in -78.89, -48.84 68.68, 2.96 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -152.67 APE8-dihe-in -117.72, 106.37 APE8-rot-out 64.01 APE67-dihe-in -60.58, -16.49 -68.37, -26.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 8.7256 P115A,G116A None None XRAY 2.0 0.207 0.242 A 446.0 388.0 19 28 14 14 [[152, 409]] 1.0 9c1w Homo sapiens AGC_AKT2_HUMAN AGC 4.1e-99 336.9 1.0 260.0 260.0 292 293 294 296 298 181 200 204 272 274 273 275.0 332 320 315 314 313 312 311 310 309 230 RAC-beta serine/threonine-protein kinase

Ligand: XOO

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