Ligand: I5G

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% 7Y1GB
DFGin BLAminus 1 50.0% 7Y1GA
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 7Y1GB P17612 15 351 351.0 I5G:60401 Type1 Inactive DFGin 6.5019 15.3725 ABAminus -112.68, -38.34 -99.79, 125.89 -136.28, 17.99 282.52, 84.22 -66.37, -34.78 in-in in 9.4501 Saltbr-in 2.8689 HRD-in -80.77, -61.43 56.8, 33.17 in-in-out SNCiio in-out ActLoopNT-in 2.95 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -136.12, 157.52 APE9-dihe-na 119.76, 163.27 APE8-dihe-in -78.91, 145.18 APE8-rot-out 49.01 APE67-dihe-in -67.8, -20.12 -41.99, -42.68 APE12-dist-in 8.186 APE11-dist-in 11.3096 APE10-dist-in 5.7517 APE9-dist-in 4.3013 None TPO198,SEP339 TPO198,SEP339 XRAY 2.3 0.188 0.237 B 351.0 337.0 0 25 25 0 [[44, 298]] 1.0 7y1g 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 7Y1GA P17612 16 351 351.0 I5G:60500 Type1 Inactive DFGin 6.3413 14.8624 BLAminus -118.48, 174.7 76.77, 103.0 -130.63, 13.32 288.1, 82.33 -55.62, -41.63 in-in in 9.1119 Saltbr-in 2.716 HRD-in -77.78, -56.16 48.65, 33.18 in-in-out SNCiio in-out ActLoopNT-in 2.8984 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.96, 160.38 APE9-dihe-na 112.98, 149.31 APE8-dihe-in -54.34, 136.89 APE8-rot-out 199.98 APE67-dihe-in -67.35, -18.71 -49.9, -39.67 APE12-dist-in 8.1184 APE11-dist-in 11.271 APE10-dist-in 5.6336 APE9-dist-in 4.254 None TPO198,SEP339 TPO198,SEP339 XRAY 2.3 0.188 0.237 A 351.0 336.0 0 25 25 0 [[44, 298]] 1.0 7y1g 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: I5G

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% 7Y1GB
DFGin BLAminus 1 50.0% 7Y1GA
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 7Y1GB P17612 15 351 351.0 I5G:60401 Type1 Inactive DFGin 6.5019 15.3725 ABAminus -112.68, -38.34 -99.79, 125.89 -136.28, 17.99 282.52, 84.22 -66.37, -34.78 in-in in 9.4501 Saltbr-in 2.8689 HRD-in -80.77, -61.43 56.8, 33.17 in-in-out SNCiio in-out ActLoopNT-in 2.95 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -136.12, 157.52 APE9-dihe-na 119.76, 163.27 APE8-dihe-in -78.91, 145.18 APE8-rot-out 49.01 APE67-dihe-in -67.8, -20.12 -41.99, -42.68 APE12-dist-in 8.186 APE11-dist-in 11.3096 APE10-dist-in 5.7517 APE9-dist-in 4.3013 None TPO198,SEP339 TPO198,SEP339 XRAY 2.3 0.188 0.237 B 351.0 337.0 0 25 25 0 [[44, 298]] 1.0 7y1g 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 7Y1GA P17612 16 351 351.0 I5G:60500 Type1 Inactive DFGin 6.3413 14.8624 BLAminus -118.48, 174.7 76.77, 103.0 -130.63, 13.32 288.1, 82.33 -55.62, -41.63 in-in in 9.1119 Saltbr-in 2.716 HRD-in -77.78, -56.16 48.65, 33.18 in-in-out SNCiio in-out ActLoopNT-in 2.8984 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.96, 160.38 APE9-dihe-na 112.98, 149.31 APE8-dihe-in -54.34, 136.89 APE8-rot-out 199.98 APE67-dihe-in -67.35, -18.71 -49.9, -39.67 APE12-dist-in 8.1184 APE11-dist-in 11.271 APE10-dist-in 5.6336 APE9-dist-in 4.254 None TPO198,SEP339 TPO198,SEP339 XRAY 2.3 0.188 0.237 A 351.0 336.0 0 25 25 0 [[44, 298]] 1.0 7y1g 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: I5G

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