Ligand: R34

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 6C9HA
DFGin ABAminus 1 33.3% 6C9FA
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
CAMK PRKAA1 AAPK1_HUMAN 6C9FA Q13131 22 558 559.0 R34:60601,STU:60602 Allosteric,Type1 Inactive DFGin 6.7283 14.2948 ABAminus -116.49, -61.55 -94.26, 110.71 -99.52, 6.4 287.66, 85.72 -50.13, -39.13 out-out out 10.7128 Saltbr-out 5.3185 HRD-in -66.33, -58.11 53.99, 16.31 out-in-out SNCoio in-out ActLoopNT-in 2.7714 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -120.89, 155.28 APE9-dihe-na 94.11, 171.31 APE8-dihe-in -69.7, 144.51 APE8-rot-out 175.9 APE67-dihe-in -64.59, -37.19 -54.17, -35.84 APE12-dist-in 8.2675 APE11-dist-in 10.7302 APE10-dist-in 5.1485 APE9-dist-in 4.2372 None TPO183 TPO183 XRAY 2.924 0.229 0.245 A 494.0 371.0 0 27 27 0 [[27, 279]] 1.0 6c9f CAMK_PRKAA1_HUMAN CAMK 3.7e-89 304.6 1.0 256.0 256.0 167 168 169 171 173 56 75 79 147 149 148 150.0 207 194 189 188 187 186 185 184 183 105 5'-AMP-activated protein kinase catalytic subunit alpha-1
CAMK PRKAA1 AAPK1_HUMAN 6C9HA Q13131 22 558 559.0 R34:60601,STU:60602 Allosteric,Type1 Inactive DFGin 6.7117 14.3818 BLAminus -138.26, 171.2 60.5, 73.75 -84.01, 6.76 285.61, 85.73 -48.49, -36.53 out-out out 10.6488 Saltbr-out 5.6307 HRD-in -69.22, -48.97 68.92, -5.29 out-in-out SNCoio in-out ActLoopNT-in 3.017 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -142.6, 158.62 APE9-dihe-na 60.32, -132.0 APE8-dihe-in -130.57, 153.41 APE8-rot-out 177.79 APE67-dihe-in -63.0, -34.49 -63.07, -41.05 APE12-dist-in 8.6555 APE11-dist-in 10.6184 APE10-dist-in 6.1892 APE9-dist-in 3.8729 None None None XRAY 2.65 0.215 0.242 A 494.0 433.0 0 27 27 0 [[27, 279]] 1.0 6c9h CAMK_PRKAA1_HUMAN CAMK 3.7e-89 304.6 1.0 256.0 256.0 167 168 169 171 173 56 75 79 147 149 148 150.0 207 194 189 188 187 186 185 184 183 105 5'-AMP-activated protein kinase catalytic subunit alpha-1
CAMK PRKAA1 AAPK1_HUMAN 6C9JA Q13131 22 559 559.0 R34:60601,STU:60602 Allosteric,Type1 Active DFGin 6.9799 13.9321 BLAminus -148.31, -179.86 61.68, 68.06 -82.96, 8.26 285.07, 89.54 -49.65, -37.12 out-in out 10.0503 Saltbr-in 3.0249 HRD-in -61.18, -61.45 68.18, -7.34 in-in-in SNCiii in-in ActLoopNT-in 2.981 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.03, 155.55 APE9-dihe-na 81.79, 170.06 APE8-dihe-in -65.93, 140.22 APE8-rot-in 298.24 APE67-dihe-in -65.83, -31.14 -52.06, -38.38 APE12-dist-in 8.3121 APE11-dist-in 11.1991 APE10-dist-in 5.6399 APE9-dist-in 4.1005 None TPO183 TPO183 XRAY 3.05 0.215 0.225 A 494.0 384.0 0 27 27 0 [[27, 279]] 1.0 6c9j CAMK_PRKAA1_HUMAN CAMK 3.7e-89 304.6 1.0 256.0 256.0 167 168 169 171 173 56 75 79 147 149 148 150.0 207 194 189 188 187 186 185 184 183 105 5'-AMP-activated protein kinase catalytic subunit alpha-1

Ligand: R34

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 6C9HA
DFGin ABAminus 1 33.3% 6C9FA
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
CAMK PRKAA1 AAPK1_HUMAN 6C9FA Q13131 22 558 559.0 R34:60601,STU:60602 Allosteric,Type1 Inactive DFGin 6.7283 14.2948 ABAminus -116.49, -61.55 -94.26, 110.71 -99.52, 6.4 287.66, 85.72 -50.13, -39.13 out-out out 10.7128 Saltbr-out 5.3185 HRD-in -66.33, -58.11 53.99, 16.31 out-in-out SNCoio in-out ActLoopNT-in 2.7714 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -120.89, 155.28 APE9-dihe-na 94.11, 171.31 APE8-dihe-in -69.7, 144.51 APE8-rot-out 175.9 APE67-dihe-in -64.59, -37.19 -54.17, -35.84 APE12-dist-in 8.2675 APE11-dist-in 10.7302 APE10-dist-in 5.1485 APE9-dist-in 4.2372 None TPO183 TPO183 XRAY 2.924 0.229 0.245 A 494.0 371.0 0 27 27 0 [[27, 279]] 1.0 6c9f Homo sapiens CAMK_PRKAA1_HUMAN CAMK 3.7e-89 304.6 1.0 256.0 256.0 167 168 169 171 173 56 75 79 147 149 148 150.0 207 194 189 188 187 186 185 184 183 105 5'-AMP-activated protein kinase catalytic subunit alpha-1
CAMK PRKAA1 AAPK1_HUMAN 6C9HA Q13131 22 558 559.0 R34:60601,STU:60602 Allosteric,Type1 Inactive DFGin 6.7117 14.3818 BLAminus -138.26, 171.2 60.5, 73.75 -84.01, 6.76 285.61, 85.73 -48.49, -36.53 out-out out 10.6488 Saltbr-out 5.6307 HRD-in -69.22, -48.97 68.92, -5.29 out-in-out SNCoio in-out ActLoopNT-in 3.017 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -142.6, 158.62 APE9-dihe-na 60.32, -132.0 APE8-dihe-in -130.57, 153.41 APE8-rot-out 177.79 APE67-dihe-in -63.0, -34.49 -63.07, -41.05 APE12-dist-in 8.6555 APE11-dist-in 10.6184 APE10-dist-in 6.1892 APE9-dist-in 3.8729 None None None XRAY 2.65 0.215 0.242 A 494.0 433.0 0 27 27 0 [[27, 279]] 1.0 6c9h Homo sapiens CAMK_PRKAA1_HUMAN CAMK 3.7e-89 304.6 1.0 256.0 256.0 167 168 169 171 173 56 75 79 147 149 148 150.0 207 194 189 188 187 186 185 184 183 105 5'-AMP-activated protein kinase catalytic subunit alpha-1
CAMK PRKAA1 AAPK1_HUMAN 6C9JA Q13131 22 559 559.0 R34:60601,STU:60602 Allosteric,Type1 Active DFGin 6.9799 13.9321 BLAminus -148.31, -179.86 61.68, 68.06 -82.96, 8.26 285.07, 89.54 -49.65, -37.12 out-in out 10.0503 Saltbr-in 3.0249 HRD-in -61.18, -61.45 68.18, -7.34 in-in-in SNCiii in-in ActLoopNT-in 2.981 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.03, 155.55 APE9-dihe-na 81.79, 170.06 APE8-dihe-in -65.93, 140.22 APE8-rot-in 298.24 APE67-dihe-in -65.83, -31.14 -52.06, -38.38 APE12-dist-in 8.3121 APE11-dist-in 11.1991 APE10-dist-in 5.6399 APE9-dist-in 4.1005 None TPO183 TPO183 XRAY 3.05 0.215 0.225 A 494.0 384.0 0 27 27 0 [[27, 279]] 1.0 6c9j Homo sapiens CAMK_PRKAA1_HUMAN CAMK 3.7e-89 304.6 1.0 256.0 256.0 167 168 169 171 173 56 75 79 147 149 148 150.0 207 194 189 188 187 186 185 184 183 105 5'-AMP-activated protein kinase catalytic subunit alpha-1

Ligand: R34

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