Ligand: SMY

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3OW4A
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 3OW4A P31749 144 478 480.0 SMY:60001 Type1 Active DFGin 6.3863 13.5225 BLAminus -119.32, 159.71 79.63, 82.83 -104.78, 4.01 298.86, 82.1 -54.94, -24.29 in-in in 8.9552 Saltbr-in 2.9022 HRD-in -70.99, -49.36 69.67, -8.21 in-in-in SNCiii in-in ActLoopNT-in 2.9359 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.63, 156.89 APE9-dihe-na 142.86, -142.49 APE8-dihe-in -124.25, 130.13 APE8-rot-in 298.03 APE67-dihe-in -63.26, -12.53 -44.97, -47.55 APE12-dist-in 8.4074 APE11-dist-in 11.4993 APE10-dist-in 5.9428 APE9-dist-in 4.1224 S473D TPO308 TPO308 XRAY 2.6 0.197 0.268 A 341.0 318.0 0 28 28 0 [[150, 408]] 1.0 3ow4 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 AKT1 AKT1_HUMAN 3OW4B P31749 144 478 480.0 SMY:60002 Type1 Active DFGin 6.4676 13.471 BLAminus -110.6, 166.76 74.64, 94.72 -107.78, 10.54 297.92, 88.21 -53.21, -30.59 in-in in 9.0138 Saltbr-in 2.873 HRD-in -68.95, -46.49 77.32, -19.31 in-in-in SNCiii in-in ActLoopNT-in 2.9047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.84, 158.48 APE9-dihe-na 136.94, -160.6 APE8-dihe-in -112.04, 132.88 APE8-rot-in 279.55 APE67-dihe-in -64.15, -17.53 -43.71, -49.28 APE12-dist-in 8.5672 APE11-dist-in 11.4821 APE10-dist-in 6.0002 APE9-dist-in 4.2086 S473D TPO308 TPO308 XRAY 2.6 0.197 0.268 B 341.0 318.0 0 28 28 0 [[150, 408]] 1.0 3ow4 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

Ligand: SMY

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% 3OW3A
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 3OW4A P31749 144 478 480.0 SMY:60001 Type1 Active DFGin 6.3863 13.5225 BLAminus -119.32, 159.71 79.63, 82.83 -104.78, 4.01 298.86, 82.1 -54.94, -24.29 in-in in 8.9552 Saltbr-in 2.9022 HRD-in -70.99, -49.36 69.67, -8.21 in-in-in SNCiii in-in ActLoopNT-in 2.9359 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.63, 156.89 APE9-dihe-na 142.86, -142.49 APE8-dihe-in -124.25, 130.13 APE8-rot-in 298.03 APE67-dihe-in -63.26, -12.53 -44.97, -47.55 APE12-dist-in 8.4074 APE11-dist-in 11.4993 APE10-dist-in 5.9428 APE9-dist-in 4.1224 S473D TPO308 TPO308 XRAY 2.6 0.197 0.268 A 341.0 318.0 0 28 28 0 [[150, 408]] 1.0 3ow4 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 AKT1 AKT1_HUMAN 3OW4B P31749 144 478 480.0 SMY:60002 Type1 Active DFGin 6.4676 13.471 BLAminus -110.6, 166.76 74.64, 94.72 -107.78, 10.54 297.92, 88.21 -53.21, -30.59 in-in in 9.0138 Saltbr-in 2.873 HRD-in -68.95, -46.49 77.32, -19.31 in-in-in SNCiii in-in ActLoopNT-in 2.9047 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -160.84, 158.48 APE9-dihe-na 136.94, -160.6 APE8-dihe-in -112.04, 132.88 APE8-rot-in 279.55 APE67-dihe-in -64.15, -17.53 -43.71, -49.28 APE12-dist-in 8.5672 APE11-dist-in 11.4821 APE10-dist-in 6.0002 APE9-dist-in 4.2086 S473D TPO308 TPO308 XRAY 2.6 0.197 0.268 B 341.0 318.0 0 28 28 0 [[150, 408]] 1.0 3ow4 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_MOUSE 3OW3A P05132 16 351 351.0 SMY:60401 Type1 Active DFGin 6.1403 14.543 BLAminus -123.88, 175.12 69.78, 83.56 -97.88, 23.25 272.21, 60.42 -52.11, -32.64 in-in in 9.1321 Saltbr-in 2.5499 HRD-in -87.74, -52.86 72.88, 7.11 in-in-in SNCiii in-in ActLoopNT-in 2.9121 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.65, 165.29 APE9-dihe-na 128.58, -156.74 APE8-dihe-in -122.61, 136.92 APE8-rot-in 295.99 APE67-dihe-in -53.86, -28.98 -54.05, -45.53 APE12-dist-in 8.1185 APE11-dist-in 11.5674 APE10-dist-in 5.8554 APE9-dist-in 3.5108 None TPO198,SEP339 TPO198,SEP339 XRAY 1.9 0.166 0.21 A 350.0 336.0 0 25 25 0 [[44, 298]] 1.0 3ow3 Mus musculus AGC_PRKACA_MOUSE AGC 1.5e-94 322.1 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: SMY

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 3OW3A
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 PRKACA KAPCA_MOUSE 3OW3A P05132 16 351 351.0 SMY:60401 Type1 Active DFGin 6.1403 14.543 BLAminus -123.88, 175.12 69.78, 83.56 -97.88, 23.25 272.21, 60.42 -52.11, -32.64 in-in in 9.1321 Saltbr-in 2.5499 HRD-in -87.74, -52.86 72.88, 7.11 in-in-in SNCiii in-in ActLoopNT-in 2.9121 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -150.65, 165.29 APE9-dihe-na 128.58, -156.74 APE8-dihe-in -122.61, 136.92 APE8-rot-in 295.99 APE67-dihe-in -53.86, -28.98 -54.05, -45.53 APE12-dist-in 8.1185 APE11-dist-in 11.5674 APE10-dist-in 5.8554 APE9-dist-in 3.5108 None TPO198,SEP339 TPO198,SEP339 XRAY 1.9 0.166 0.21 A 350.0 336.0 0 25 25 0 [[44, 298]] 1.0 3ow3 Mus musculus AGC_PRKACA_MOUSE AGC 1.5e-94 322.1 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