Ligand: XTI

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% 8FE2A
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 8FE2A P17612 4 351 351.0 XTI:60501 Type1 Active DFGin 6.1423 13.9131 BLAminus -123.85, 174.03 69.38, 86.41 -105.22, 28.0 281.98, 71.1 -68.62, -14.04 in-in in 8.8535 Saltbr-in 2.5144 HRD-in -84.66, -51.16 67.93, 20.04 in-in-in SNCiii in-in ActLoopNT-in 2.7913 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.46, 164.95 APE9-dihe-na 122.51, -154.32 APE8-dihe-in -114.26, 125.71 APE8-rot-in 301.9 APE67-dihe-in -53.15, -32.01 -48.08, -46.83 APE12-dist-in 8.3148 APE11-dist-in 11.573 APE10-dist-in 6.0032 APE9-dist-in 3.9389 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.34 0.199 0.251 A 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 8fe2 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 8FE2B P17612 4 351 351.0 XTI:60501 Type1 Active DFGin 6.2269 13.875 BLAminus -121.06, -174.83 58.15, 84.69 -101.22, 28.39 282.36, 54.58 -64.33, -23.67 in-in in 8.8613 Saltbr-in 2.9356 HRD-in -86.41, -49.46 70.11, 7.42 in-in-in SNCiii in-in ActLoopNT-in 2.9286 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.54, 160.4 APE9-dihe-na 134.47, -156.72 APE8-dihe-in -118.93, 133.24 APE8-rot-in 292.47 APE67-dihe-in -59.44, -24.84 -53.68, -43.95 APE12-dist-in 8.1124 APE11-dist-in 11.5096 APE10-dist-in 5.8745 APE9-dist-in 3.7916 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.34 0.199 0.251 B 405.0 333.0 0 25 25 0 [[44, 298]] 1.0 8fe2 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: XTI

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% 8FE2A
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 8FE2A P17612 4 351 351.0 XTI:60501 Type1 Active DFGin 6.1423 13.9131 BLAminus -123.85, 174.03 69.38, 86.41 -105.22, 28.0 281.98, 71.1 -68.62, -14.04 in-in in 8.8535 Saltbr-in 2.5144 HRD-in -84.66, -51.16 67.93, 20.04 in-in-in SNCiii in-in ActLoopNT-in 2.7913 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.46, 164.95 APE9-dihe-na 122.51, -154.32 APE8-dihe-in -114.26, 125.71 APE8-rot-in 301.9 APE67-dihe-in -53.15, -32.01 -48.08, -46.83 APE12-dist-in 8.3148 APE11-dist-in 11.573 APE10-dist-in 6.0032 APE9-dist-in 3.9389 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.34 0.199 0.251 A 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 8fe2 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 8FE2B P17612 4 351 351.0 XTI:60501 Type1 Active DFGin 6.2269 13.875 BLAminus -121.06, -174.83 58.15, 84.69 -101.22, 28.39 282.36, 54.58 -64.33, -23.67 in-in in 8.8613 Saltbr-in 2.9356 HRD-in -86.41, -49.46 70.11, 7.42 in-in-in SNCiii in-in ActLoopNT-in 2.9286 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.54, 160.4 APE9-dihe-na 134.47, -156.72 APE8-dihe-in -118.93, 133.24 APE8-rot-in 292.47 APE67-dihe-in -59.44, -24.84 -53.68, -43.95 APE12-dist-in 8.1124 APE11-dist-in 11.5096 APE10-dist-in 5.8745 APE9-dist-in 3.7916 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.34 0.199 0.251 B 405.0 333.0 0 25 25 0 [[44, 298]] 1.0 8fe2 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: XTI

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