Ligand: XTT

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% 8FE5A
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 8FE5A P17612 3 351 351.0 XTT:60501 Type1 Active DFGin 6.5996 14.2711 BLAminus -118.08, 163.41 75.28, 94.71 -111.66, 23.11 283.47, 69.64 -61.06, -23.26 in-in in 8.6685 Saltbr-in 2.7938 HRD-in -90.95, -53.69 70.13, 22.37 in-in-in SNCiii in-in ActLoopNT-in 2.8938 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.31, 157.71 APE9-dihe-na 120.85, -158.74 APE8-dihe-in -109.76, 129.18 APE8-rot-in 307.33 APE67-dihe-in -52.63, -34.99 -47.86, -48.55 APE12-dist-in 8.4091 APE11-dist-in 11.5401 APE10-dist-in 5.9179 APE9-dist-in 3.8815 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.51 0.193 0.243 A 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 8fe5 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 8FE5B P17612 4 351 351.0 XTT:60501 Type1 Active DFGin 6.5852 14.1601 BLAminus -125.03, 171.21 68.33, 95.08 -111.16, 25.84 279.92, 72.93 -61.92, -29.97 in-in in 8.6935 Saltbr-in 2.6551 HRD-in -80.97, -54.69 77.96, 3.27 in-in-in SNCiii in-in ActLoopNT-in 2.9235 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.98, 153.65 APE9-dihe-na 132.84, -165.24 APE8-dihe-in -101.75, 136.64 APE8-rot-in 293.15 APE67-dihe-in -60.99, -28.63 -57.01, -42.49 APE12-dist-in 8.3434 APE11-dist-in 11.6658 APE10-dist-in 6.0763 APE9-dist-in 3.8646 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.51 0.193 0.243 B 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 8fe5 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: XTT

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% 8FE5A
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 8FE5A P17612 3 351 351.0 XTT:60501 Type1 Active DFGin 6.5996 14.2711 BLAminus -118.08, 163.41 75.28, 94.71 -111.66, 23.11 283.47, 69.64 -61.06, -23.26 in-in in 8.6685 Saltbr-in 2.7938 HRD-in -90.95, -53.69 70.13, 22.37 in-in-in SNCiii in-in ActLoopNT-in 2.8938 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.31, 157.71 APE9-dihe-na 120.85, -158.74 APE8-dihe-in -109.76, 129.18 APE8-rot-in 307.33 APE67-dihe-in -52.63, -34.99 -47.86, -48.55 APE12-dist-in 8.4091 APE11-dist-in 11.5401 APE10-dist-in 5.9179 APE9-dist-in 3.8815 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.51 0.193 0.243 A 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 8fe5 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 8FE5B P17612 4 351 351.0 XTT:60501 Type1 Active DFGin 6.5852 14.1601 BLAminus -125.03, 171.21 68.33, 95.08 -111.16, 25.84 279.92, 72.93 -61.92, -29.97 in-in in 8.6935 Saltbr-in 2.6551 HRD-in -80.97, -54.69 77.96, 3.27 in-in-in SNCiii in-in ActLoopNT-in 2.9235 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.98, 153.65 APE9-dihe-na 132.84, -165.24 APE8-dihe-in -101.75, 136.64 APE8-rot-in 293.15 APE67-dihe-in -60.99, -28.63 -57.01, -42.49 APE12-dist-in 8.3434 APE11-dist-in 11.6658 APE10-dist-in 6.0763 APE9-dist-in 3.8646 None SEP140,TPO198,SEP339 SEP140,TPO198,SEP339 XRAY 2.51 0.193 0.243 B 405.0 336.0 0 25 25 0 [[44, 298]] 1.0 8fe5 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: XTT

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