Ligand: A1A3I

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 9DC6A
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 9DC6A P17612 16 351 351.0 A1A3I:60501 Type1 Inactive DFGin 5.8215 14.3818 ABAminus -129.15, -5.99 -129.24, 116.18 -111.87, 19.13 279.15, 62.12 -54.37, -20.22 in-in in 9.1087 Saltbr-in 3.3088 HRD-in -90.78, -41.18 70.14, 8.35 in-in-in SNCiii in-in ActLoopNT-in 2.8945 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -161.59, -177.06 APE9-dihe-na 91.67, -156.82 APE8-dihe-in -118.5, 121.2 APE8-rot-in 293.95 APE67-dihe-in -55.19, -30.52 -37.8, -52.71 APE12-dist-in 8.2373 APE11-dist-in 11.5075 APE10-dist-in 6.1047 APE9-dist-in 3.6545 None SEP140,TPO198 SEP140,TPO198 XRAY 2.7 0.237 0.311 A 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 9dc6 AGC_PRKACA_HUMAN AGC 7e-95 323.1 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
AGC PRKACA KAPCA_HUMAN 9DC6B P17612 16 351 351.0 A1A3I:60501 Type1 Inactive DFGin 6.1262 14.2237 ABAminus -118.96, -25.57 -111.81, 119.46 -118.82, 27.48 291.58, 78.19 -62.06, -32.01 in-in in 8.9675 Saltbr-in 2.88 HRD-in -75.88, -55.9 87.72, 2.66 in-in-in SNCiii in-in ActLoopNT-in 2.8974 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.71, 171.27 APE9-dihe-na 114.33, -156.38 APE8-dihe-in -127.33, 134.71 APE8-rot-in 292.26 APE67-dihe-in -63.06, -23.33 -44.45, -51.67 APE12-dist-in 8.5329 APE11-dist-in 11.6121 APE10-dist-in 6.0734 APE9-dist-in 3.5437 None SEP140,TPO198 SEP140,TPO198 XRAY 2.7 0.237 0.311 B 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 9dc6 AGC_PRKACA_HUMAN AGC 7e-95 323.1 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: A1A3I

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 9DC6A
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 9DC6A P17612 16 351 351.0 A1A3I:60501 Type1 Inactive DFGin 5.8215 14.3818 ABAminus -129.15, -5.99 -129.24, 116.18 -111.87, 19.13 279.15, 62.12 -54.37, -20.22 in-in in 9.1087 Saltbr-in 3.3088 HRD-in -90.78, -41.18 70.14, 8.35 in-in-in SNCiii in-in ActLoopNT-in 2.8945 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -161.59, -177.06 APE9-dihe-na 91.67, -156.82 APE8-dihe-in -118.5, 121.2 APE8-rot-in 293.95 APE67-dihe-in -55.19, -30.52 -37.8, -52.71 APE12-dist-in 8.2373 APE11-dist-in 11.5075 APE10-dist-in 6.1047 APE9-dist-in 3.6545 None SEP140,TPO198 SEP140,TPO198 XRAY 2.7 0.237 0.311 A 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 9dc6 Homo sapiens AGC_PRKACA_HUMAN AGC 7e-95 323.1 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
AGC PRKACA KAPCA_HUMAN 9DC6B P17612 16 351 351.0 A1A3I:60501 Type1 Inactive DFGin 6.1262 14.2237 ABAminus -118.96, -25.57 -111.81, 119.46 -118.82, 27.48 291.58, 78.19 -62.06, -32.01 in-in in 8.9675 Saltbr-in 2.88 HRD-in -75.88, -55.9 87.72, 2.66 in-in-in SNCiii in-in ActLoopNT-in 2.8974 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.71, 171.27 APE9-dihe-na 114.33, -156.38 APE8-dihe-in -127.33, 134.71 APE8-rot-in 292.26 APE67-dihe-in -63.06, -23.33 -44.45, -51.67 APE12-dist-in 8.5329 APE11-dist-in 11.6121 APE10-dist-in 6.0734 APE9-dist-in 3.5437 None SEP140,TPO198 SEP140,TPO198 XRAY 2.7 0.237 0.311 B 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 9dc6 Homo sapiens AGC_PRKACA_HUMAN AGC 7e-95 323.1 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: A1A3I

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