Ligand: EE4

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6C0TA
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 6C0UA P17612 12 351 351.0 EE4:60400 Type1 Inactive DFGin 6.4885 14.2621 BLAminus -130.77, 175.54 62.84, 100.35 -119.36, 26.56 282.24, 71.26 -65.52, -23.67 in-in in 8.3667 Saltbr-in 3.028 HRD-in -79.47, -53.84 70.3, 8.89 in-in-out SNCiio in-out ActLoopNT-in 3.0007 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -159.41, 153.98 APE9-dihe-na 116.73, 155.27 APE8-dihe-in -73.99, 144.03 APE8-rot-out 173.49 APE67-dihe-in -64.51, -15.31 -53.81, -42.18 APE12-dist-in 7.614 APE11-dist-in 10.848 APE10-dist-in 5.4829 APE9-dist-in 3.9348 None TPO198,SEP339 TPO198,SEP339 XRAY 2.65 0.211 0.243 A 354.0 340.0 0 25 25 0 [[44, 298]] 1.0 6c0u AGC_PRKACA_HUMAN AGC 4.7e-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 PRKG1 KGP1_HUMAN 6C0TA Q13976 337 671 671.0 EE4:701 Type1.5_Front Inactive DFGin 5.9004 14.2567 BLAminus -131.41, 173.3 67.52, 81.76 -101.27, 23.85 278.07, 65.63 -65.26, -23.23 in-in in 8.9348 Saltbr-in 2.7968 HRD-in -100.02, -51.71 77.78, -11.77 in-in-out SNCiio in-out ActLoopNT-in 2.7896 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -144.5, 158.55 APE9-dihe-na 107.94, 162.3 APE8-dihe-in -69.48, 141.18 APE8-rot-out 79.81 APE67-dihe-in -72.66, -16.0 -52.58, -33.36 APE12-dist-in 7.7396 APE11-dist-in 11.364 APE10-dist-in 5.9865 APE9-dist-in 4.8195 None TPO517 TPO517 XRAY 1.98 0.21 0.244 A 347.0 335.0 0 27 27 0 [[360, 619]] 1.0 6c0t AGC_PRKG1_HUMAN AGC 2.6e-84 288.3 1.0 260.0 260.0 501 502 503 505 507 390 409 413 481 483 482 484.0 540 528 523 522 521 520 519 518 517 439 cGMP-dependent protein kinase 1

Ligand: EE4

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6C0TA
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 6C0UA P17612 12 351 351.0 EE4:60400 Type1 Inactive DFGin 6.4885 14.2621 BLAminus -130.77, 175.54 62.84, 100.35 -119.36, 26.56 282.24, 71.26 -65.52, -23.67 in-in in 8.3667 Saltbr-in 3.028 HRD-in -79.47, -53.84 70.3, 8.89 in-in-out SNCiio in-out ActLoopNT-in 3.0007 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -159.41, 153.98 APE9-dihe-na 116.73, 155.27 APE8-dihe-in -73.99, 144.03 APE8-rot-out 173.49 APE67-dihe-in -64.51, -15.31 -53.81, -42.18 APE12-dist-in 7.614 APE11-dist-in 10.848 APE10-dist-in 5.4829 APE9-dist-in 3.9348 None TPO198,SEP339 TPO198,SEP339 XRAY 2.65 0.211 0.243 A 354.0 340.0 0 25 25 0 [[44, 298]] 1.0 6c0u Homo sapiens AGC_PRKACA_HUMAN AGC 4.7e-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 PRKG1 KGP1_HUMAN 6C0TA Q13976 337 671 671.0 EE4:701 Type1.5_Front Inactive DFGin 5.9004 14.2567 BLAminus -131.41, 173.3 67.52, 81.76 -101.27, 23.85 278.07, 65.63 -65.26, -23.23 in-in in 8.9348 Saltbr-in 2.7968 HRD-in -100.02, -51.71 77.78, -11.77 in-in-out SNCiio in-out ActLoopNT-in 2.7896 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -144.5, 158.55 APE9-dihe-na 107.94, 162.3 APE8-dihe-in -69.48, 141.18 APE8-rot-out 79.81 APE67-dihe-in -72.66, -16.0 -52.58, -33.36 APE12-dist-in 7.7396 APE11-dist-in 11.364 APE10-dist-in 5.9865 APE9-dist-in 4.8195 None TPO517 TPO517 XRAY 1.98 0.21 0.244 A 347.0 335.0 0 27 27 0 [[360, 619]] 1.0 6c0t Homo sapiens AGC_PRKG1_HUMAN AGC 2.6e-84 288.3 1.0 260.0 260.0 501 502 503 505 507 390 409 413 481 483 482 484.0 540 528 523 522 521 520 519 518 517 439 cGMP-dependent protein kinase 1

Ligand: EE4

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