Ligand: XFE

Total number of chains: 3
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3MV5A
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 3MV5A P31749 144 477 480.0 XFE:60999 Type1 Active DFGin 6.5116 13.1066 BLAminus -110.68, 173.87 55.61, 106.15 -116.13, 8.16 292.02, 88.05 -68.88, -21.78 in-in in 8.5726 Saltbr-in 2.6452 HRD-in -81.07, -37.62 75.3, -21.62 in-in-in SNCiii in-in ActLoopNT-in 2.9426 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -163.23, 167.83 APE9-dihe-na 126.38, -137.1 APE8-dihe-in -133.69, 127.23 APE8-rot-in 287.39 APE67-dihe-in -69.19, -14.76 -48.38, -39.25 APE12-dist-in 8.4675 APE11-dist-in 11.6919 APE10-dist-in 6.145 APE9-dist-in 4.1852 S473D TPO308 TPO308 XRAY 2.47 0.205 0.282 A 342.0 316.0 0 28 28 0 [[150, 408]] 1.0 3mv5 AGC_AKT1_HUMAN AGC 2.3e-99 337.7 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 PRKACA KAPCA_HUMAN 3MVJA P17612 16 351 351.0 XFE:60351 Type1 Active DFGin 6.1884 13.5821 BLAminus -115.88, 169.36 72.34, 84.05 -100.4, 21.07 284.54, 72.78 -48.33, -32.34 in-in in 8.6933 Saltbr-in 2.9429 HRD-in -94.45, -57.98 81.77, 7.12 in-in-in SNCiii in-in ActLoopNT-in 3.0047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.5, 165.11 APE9-dihe-na 130.23, -153.23 APE8-dihe-in -130.91, 127.14 APE8-rot-in 305.92 APE67-dihe-in -54.4, -32.7 -46.27, -53.24 APE12-dist-in 8.1645 APE11-dist-in 11.4405 APE10-dist-in 5.835 APE9-dist-in 3.6782 None TPO198,SEP339 TPO198,SEP339 XRAY 2.49 0.217 0.304 A 371.0 336.0 0 25 25 0 [[44, 298]] 1.0 3mvj AGC_PRKACA_HUMAN AGC 5.4e-95 323.5 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
AGC PRKACA KAPCA_HUMAN 3MVJE P17612 16 351 351.0 XFE:60351 Type1 Active DFGin 6.0097 13.9041 BLAminus -120.77, 173.49 75.79, 91.53 -105.05, 22.03 286.9, 73.04 -48.68, -45.44 in-in in 8.7857 Saltbr-in 2.5037 HRD-in -85.62, -59.75 66.22, 15.9 in-in-in SNCiii in-in ActLoopNT-in 2.9875 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.99, 156.89 APE9-dihe-na 143.78, -161.15 APE8-dihe-in -124.44, 132.79 APE8-rot-in 305.29 APE67-dihe-in -69.91, -25.33 -54.9, -34.25 APE12-dist-in 8.1481 APE11-dist-in 11.447 APE10-dist-in 5.8027 APE9-dist-in 3.8015 None TPO198,SEP339 TPO198,SEP339 XRAY 2.49 0.217 0.304 E 371.0 336.0 0 25 25 0 [[44, 298]] 1.0 3mvj AGC_PRKACA_HUMAN AGC 5.4e-95 323.5 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha

Ligand: XFE

Total number of chains: 3
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3MV5A
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 3MV5A P31749 144 477 480.0 XFE:60999 Type1 Active DFGin 6.5116 13.1066 BLAminus -110.68, 173.87 55.61, 106.15 -116.13, 8.16 292.02, 88.05 -68.88, -21.78 in-in in 8.5726 Saltbr-in 2.6452 HRD-in -81.07, -37.62 75.3, -21.62 in-in-in SNCiii in-in ActLoopNT-in 2.9426 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -163.23, 167.83 APE9-dihe-na 126.38, -137.1 APE8-dihe-in -133.69, 127.23 APE8-rot-in 287.39 APE67-dihe-in -69.19, -14.76 -48.38, -39.25 APE12-dist-in 8.4675 APE11-dist-in 11.6919 APE10-dist-in 6.145 APE9-dist-in 4.1852 S473D TPO308 TPO308 XRAY 2.47 0.205 0.282 A 342.0 316.0 0 28 28 0 [[150, 408]] 1.0 3mv5 Homo sapiens AGC_AKT1_HUMAN AGC 2.3e-99 337.7 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 PRKACA KAPCA_HUMAN 3MVJA P17612 16 351 351.0 XFE:60351 Type1 Active DFGin 6.1884 13.5821 BLAminus -115.88, 169.36 72.34, 84.05 -100.4, 21.07 284.54, 72.78 -48.33, -32.34 in-in in 8.6933 Saltbr-in 2.9429 HRD-in -94.45, -57.98 81.77, 7.12 in-in-in SNCiii in-in ActLoopNT-in 3.0047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.5, 165.11 APE9-dihe-na 130.23, -153.23 APE8-dihe-in -130.91, 127.14 APE8-rot-in 305.92 APE67-dihe-in -54.4, -32.7 -46.27, -53.24 APE12-dist-in 8.1645 APE11-dist-in 11.4405 APE10-dist-in 5.835 APE9-dist-in 3.6782 None TPO198,SEP339 TPO198,SEP339 XRAY 2.49 0.217 0.304 A 371.0 336.0 0 25 25 0 [[44, 298]] 1.0 3mvj Homo sapiens AGC_PRKACA_HUMAN AGC 5.4e-95 323.5 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha
AGC PRKACA KAPCA_HUMAN 3MVJE P17612 16 351 351.0 XFE:60351 Type1 Active DFGin 6.0097 13.9041 BLAminus -120.77, 173.49 75.79, 91.53 -105.05, 22.03 286.9, 73.04 -48.68, -45.44 in-in in 8.7857 Saltbr-in 2.5037 HRD-in -85.62, -59.75 66.22, 15.9 in-in-in SNCiii in-in ActLoopNT-in 2.9875 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.99, 156.89 APE9-dihe-na 143.78, -161.15 APE8-dihe-in -124.44, 132.79 APE8-rot-in 305.29 APE67-dihe-in -69.91, -25.33 -54.9, -34.25 APE12-dist-in 8.1481 APE11-dist-in 11.447 APE10-dist-in 5.8027 APE9-dist-in 3.8015 None TPO198,SEP339 TPO198,SEP339 XRAY 2.49 0.217 0.304 E 371.0 336.0 0 25 25 0 [[44, 298]] 1.0 3mvj Homo sapiens AGC_PRKACA_HUMAN AGC 5.4e-95 323.5 1.0 260.0 260.0 184 185 186 188 190 73 92 96 164 166 165 167.0 221 209 204 203 202 201 200 199 198 122 cAMP-dependent protein kinase catalytic subunit alpha

Ligand: XFE

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