Ligand: C1V

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 100.0% 5EZVA
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 PRKAA2 AAPK2_HUMAN 5EZVA P54646 8 551 552.0 STU:60601,C1V:60602 Type1,Allosteric Inactive DFGin 7.2674 14.6333 None -121.03, -63.06 -68.65, 101.9 -100.19, 25.35 279.34, 91.81 -68.17, -44.69 in-in in 9.8608 Saltbr-in 2.6899 HRD-in -59.46, -47.11 63.8, -4.14 in-in-in SNCiii in-in ActLoopNT-in 3.0028 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.63, 144.51 APE9-dihe-na 86.66, 177.12 APE8-dihe-in -64.88, 140.75 APE8-rot-in 312.82 APE67-dihe-in -66.61, -22.38 -58.4, -32.39 APE12-dist-in 7.7539 APE11-dist-in 10.4368 APE10-dist-in 5.1306 APE9-dist-in 4.4026 None TPO172 TPO172 XRAY 2.99 0.225 0.245 A 560.0 433.0 0 27 27 0 [[16, 268]] 1.0 5ezv CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.2 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2
CAMK PRKAA2 AAPK2_HUMAN 5EZVC P54646 9 551 552.0 STU:60601,C1V:60602 Type1,Allosteric Inactive DFGin 7.4323 14.3494 None -121.9, -67.2 -69.32, 103.91 -104.03, 30.29 280.2, 90.51 -70.5, -44.85 out-in out 10.4146 Saltbr-in 3.2079 HRD-in -65.9, -50.28 64.78, -4.1 in-in-out SNCiio in-out ActLoopNT-in 2.9393 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.83, 151.12 APE9-dihe-na 88.46, 177.26 APE8-dihe-in -64.21, 140.09 APE8-rot-out 194.68 APE67-dihe-in -65.12, -32.21 -57.93, -31.87 APE12-dist-in 7.8362 APE11-dist-in 10.5358 APE10-dist-in 5.1127 APE9-dist-in 4.4856 None TPO172 TPO172 XRAY 2.99 0.225 0.245 C 560.0 434.0 0 27 27 0 [[16, 268]] 1.0 5ezv CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.2 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2
CAMK PRKAA2 AAPK2_HUMAN 4ZHXC P54646 9 551 552.0 4O7:60601,C1V:60602 Type1,Allosteric Inactive DFGin 7.1494 14.357 None -118.59, -65.8 -66.91, 99.09 -101.33, 23.32 277.19, 90.56 -65.31, -32.83 out-out out 10.3303 Saltbr-out 4.842 HRD-out -73.9, 101.83 -92.2, 22.13 out-in-out SNCoio in-out ActLoopNT-in 2.9999 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -139.02, 115.25 APE9-dihe-na 47.21, -160.8 APE8-dihe-out 29.45, 76.85 APE8-rot-in 332.18 APE67-dihe-in -70.92, -30.7 -62.41, -34.95 APE12-dist-in 7.9051 APE11-dist-in 10.9947 APE10-dist-in 5.5352 APE9-dist-out 6.3235 None TPO172 TPO172 XRAY 2.99 0.226 0.243 C 565.0 453.0 0 27 27 0 [[16, 268]] 1.0 4zhx CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.2 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2
CAMK PRKAA2 AAPK2_HUMAN 4CFFC P54646 10 551 552.0 STU:61552,C1V:61553 Type1,Allosteric Inactive DFGin 6.7813 14.0798 None -150.62, -172.52 53.67, 68.27 -65.24, -76.3 281.99, 78.69 54.48, -69.27 out-out out 10.8955 Saltbr-out 5.3095 HRD-out -84.81, 105.73 -92.0, 12.06 out-in-out SNCoio in-out ActLoopNT-in 3.0342 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iiii APE10-dihe-na -122.19, 170.3 APE9-dihe-na 112.32, 178.27 APE8-dihe-in -67.95, 156.54 APE8-rot-out 180.36 APE67-dihe-out -82.42, 177.62 -55.27, -42.84 APE12-dist-in 7.7542 APE11-dist-in 11.1374 APE10-dist-in 5.4326 APE9-dist-in 3.967 None TPO172 TPO172 XRAY 3.924 0.211 0.264 C 571.0 423.0 0 27 27 0 [[16, 268]] 1.0 4cff CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.1 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2

Ligand: C1V

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 4 100.0% 5EZVA
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 PRKAA2 AAPK2_HUMAN 5EZVA P54646 8 551 552.0 STU:60601,C1V:60602 Type1,Allosteric Inactive DFGin 7.2674 14.6333 None -121.03, -63.06 -68.65, 101.9 -100.19, 25.35 279.34, 91.81 -68.17, -44.69 in-in in 9.8608 Saltbr-in 2.6899 HRD-in -59.46, -47.11 63.8, -4.14 in-in-in SNCiii in-in ActLoopNT-in 3.0028 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.63, 144.51 APE9-dihe-na 86.66, 177.12 APE8-dihe-in -64.88, 140.75 APE8-rot-in 312.82 APE67-dihe-in -66.61, -22.38 -58.4, -32.39 APE12-dist-in 7.7539 APE11-dist-in 10.4368 APE10-dist-in 5.1306 APE9-dist-in 4.4026 None TPO172 TPO172 XRAY 2.99 0.225 0.245 A 560.0 433.0 0 27 27 0 [[16, 268]] 1.0 5ezv Homo sapiens CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.2 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2
CAMK PRKAA2 AAPK2_HUMAN 5EZVC P54646 9 551 552.0 STU:60601,C1V:60602 Type1,Allosteric Inactive DFGin 7.4323 14.3494 None -121.9, -67.2 -69.32, 103.91 -104.03, 30.29 280.2, 90.51 -70.5, -44.85 out-in out 10.4146 Saltbr-in 3.2079 HRD-in -65.9, -50.28 64.78, -4.1 in-in-out SNCiio in-out ActLoopNT-in 2.9393 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.83, 151.12 APE9-dihe-na 88.46, 177.26 APE8-dihe-in -64.21, 140.09 APE8-rot-out 194.68 APE67-dihe-in -65.12, -32.21 -57.93, -31.87 APE12-dist-in 7.8362 APE11-dist-in 10.5358 APE10-dist-in 5.1127 APE9-dist-in 4.4856 None TPO172 TPO172 XRAY 2.99 0.225 0.245 C 560.0 434.0 0 27 27 0 [[16, 268]] 1.0 5ezv Homo sapiens CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.2 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2
CAMK PRKAA2 AAPK2_HUMAN 4ZHXC P54646 9 551 552.0 4O7:60601,C1V:60602 Type1,Allosteric Inactive DFGin 7.1494 14.357 None -118.59, -65.8 -66.91, 99.09 -101.33, 23.32 277.19, 90.56 -65.31, -32.83 out-out out 10.3303 Saltbr-out 4.842 HRD-out -73.9, 101.83 -92.2, 22.13 out-in-out SNCoio in-out ActLoopNT-in 2.9999 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -139.02, 115.25 APE9-dihe-na 47.21, -160.8 APE8-dihe-out 29.45, 76.85 APE8-rot-in 332.18 APE67-dihe-in -70.92, -30.7 -62.41, -34.95 APE12-dist-in 7.9051 APE11-dist-in 10.9947 APE10-dist-in 5.5352 APE9-dist-out 6.3235 None TPO172 TPO172 XRAY 2.99 0.226 0.243 C 565.0 453.0 0 27 27 0 [[16, 268]] 1.0 4zhx Homo sapiens CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.2 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2
CAMK PRKAA2 AAPK2_HUMAN 4CFFC P54646 10 551 552.0 STU:61552,C1V:61553 Type1,Allosteric Inactive DFGin 6.7813 14.0798 None -150.62, -172.52 53.67, 68.27 -65.24, -76.3 281.99, 78.69 54.48, -69.27 out-out out 10.8955 Saltbr-out 5.3095 HRD-out -84.81, 105.73 -92.0, 12.06 out-in-out SNCoio in-out ActLoopNT-in 3.0342 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iiii APE10-dihe-na -122.19, 170.3 APE9-dihe-na 112.32, 178.27 APE8-dihe-in -67.95, 156.54 APE8-rot-out 180.36 APE67-dihe-out -82.42, 177.62 -55.27, -42.84 APE12-dist-in 7.7542 APE11-dist-in 11.1374 APE10-dist-in 5.4326 APE9-dist-in 3.967 None TPO172 TPO172 XRAY 3.924 0.211 0.264 C 571.0 423.0 0 27 27 0 [[16, 268]] 1.0 4cff Homo sapiens CAMK_PRKAA2_HUMAN CAMK 1.2e-89 306.1 1.0 256.0 256.0 156 157 158 160 162 45 64 68 136 138 137 139.0 196 183 178 177 176 175 174 173 172 94 5'-AMP-activated protein kinase catalytic subunit alpha-2

Ligand: C1V

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