Ligand: A03

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% 3AGLA
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 PRKACA KAPCA_HUMAN 3AGLA P17612 11 351 351.0 A03:60351 Type1 Active DFGin 6.145 14.1866 BLAminus -123.32, 177.62 64.25, 83.52 -96.46, 22.51 272.11, 61.62 -58.64, -28.46 in-in in 8.4913 Saltbr-in 2.8863 HRD-in -82.44, -53.5 74.32, 9.67 in-in-in SNCiii in-in ActLoopNT-in 2.8897 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.19, 166.18 APE9-dihe-na 128.76, -154.1 APE8-dihe-in -126.1, 126.27 APE8-rot-in 292.64 APE67-dihe-in -59.45, -23.51 -43.73, -52.47 APE12-dist-in 8.0899 APE11-dist-in 11.2847 APE10-dist-in 5.6424 APE9-dist-in 3.6922 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.1 0.2 0.237 A 351.0 341.0 0 25 25 0 [[44, 298]] 1.0 3agl AGC_PRKACA_HUMAN AGC 4.6e-95 323.7 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 3AGLB P17612 15 351 351.0 A03:60351 Type1 Active DFGin 6.244 14.2587 BLAminus -119.17, 172.99 64.04, 88.92 -97.96, 24.36 271.27, 65.91 -60.24, -24.04 in-in in 8.4832 Saltbr-in 2.838 HRD-in -81.23, -56.2 72.88, 10.89 in-in-in SNCiii in-in ActLoopNT-in 2.8655 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.17, 153.35 APE9-dihe-na 137.51, -153.25 APE8-dihe-in -122.43, 130.68 APE8-rot-in 303.24 APE67-dihe-in -59.0, -24.94 -49.14, -44.94 APE12-dist-in 8.0815 APE11-dist-in 11.3224 APE10-dist-in 5.744 APE9-dist-in 3.8805 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.1 0.2 0.237 B 351.0 337.0 0 25 25 0 [[44, 298]] 1.0 3agl AGC_PRKACA_HUMAN AGC 4.6e-95 323.7 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: A03

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% 3AGLA
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_HUMAN 3AGLA P17612 11 351 351.0 A03:60351 Type1 Active DFGin 6.145 14.1866 BLAminus -123.32, 177.62 64.25, 83.52 -96.46, 22.51 272.11, 61.62 -58.64, -28.46 in-in in 8.4913 Saltbr-in 2.8863 HRD-in -82.44, -53.5 74.32, 9.67 in-in-in SNCiii in-in ActLoopNT-in 2.8897 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.19, 166.18 APE9-dihe-na 128.76, -154.1 APE8-dihe-in -126.1, 126.27 APE8-rot-in 292.64 APE67-dihe-in -59.45, -23.51 -43.73, -52.47 APE12-dist-in 8.0899 APE11-dist-in 11.2847 APE10-dist-in 5.6424 APE9-dist-in 3.6922 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.1 0.2 0.237 A 351.0 341.0 0 25 25 0 [[44, 298]] 1.0 3agl Homo sapiens AGC_PRKACA_HUMAN AGC 4.6e-95 323.7 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 3AGLB P17612 15 351 351.0 A03:60351 Type1 Active DFGin 6.244 14.2587 BLAminus -119.17, 172.99 64.04, 88.92 -97.96, 24.36 271.27, 65.91 -60.24, -24.04 in-in in 8.4832 Saltbr-in 2.838 HRD-in -81.23, -56.2 72.88, 10.89 in-in-in SNCiii in-in ActLoopNT-in 2.8655 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.17, 153.35 APE9-dihe-na 137.51, -153.25 APE8-dihe-in -122.43, 130.68 APE8-rot-in 303.24 APE67-dihe-in -59.0, -24.94 -49.14, -44.94 APE12-dist-in 8.0815 APE11-dist-in 11.3224 APE10-dist-in 5.744 APE9-dist-in 3.8805 None SEP11,TPO198,SEP339 SEP11,TPO198,SEP339 XRAY 2.1 0.2 0.237 B 351.0 337.0 0 25 25 0 [[44, 298]] 1.0 3agl Homo sapiens AGC_PRKACA_HUMAN AGC 4.6e-95 323.7 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: A03

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