Ligand: CG7

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 6B1UC
DFGin BLAminus 1 33.3% 6B2EA
DFGin None 1 33.3% 6B1UA
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 6B1UC P54646 9 552 552.0 STU:60601,CG7:60602 Type1,Allosteric Inactive DFGin 7.4516 14.1299 ABAminus -133.95, -50.46 -79.36, 100.93 -96.81, 22.67 283.51, 87.03 -67.96, -35.6 out-out out 10.2466 Saltbr-out 4.344 HRD-in -62.69, -52.12 64.78, 6.12 out-in-out SNCoio in-out ActLoopNT-in 3.0313 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na 59.85, -130.04 APE9-dihe-na -84.76, -170.01 APE8-dihe-in -60.51, 139.79 APE8-rot-out 157.81 APE67-dihe-in -64.49, -24.93 -66.94, -29.94 APE12-dist-in 7.802 APE11-dist-in 10.1021 APE10-dist-in 6.0757 APE9-dist-in 4.4225 None TPO172 TPO172 XRAY 2.77 0.196 0.226 C 565.0 460.0 0 27 27 0 [[16, 268]] 1.0 6b1u 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 6B2EA P54646 9 551 552.0 STU:60601,CG7:60602 Type1,Allosteric Inactive DFGin 6.8359 14.6749 BLAminus -127.75, -179.24 60.25, 73.12 -88.18, 14.06 273.69, 88.23 -67.6, -15.67 out-none out 10.0019 Saltbr-none 999.0 HRD-out -78.51, 91.55 -68.49, -19.81 none-in-out SNCnio in-out ActLoopNT-in 3.1235 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iiio APE10-dihe-na -70.16, 148.6 APE9-dihe-na -63.35, -41.66 APE8-dihe-in -61.85, 118.31 APE8-rot-out 58.89 APE67-dihe-out -81.11, 165.06 -67.04, -35.27 APE12-dist-in 8.4672 APE11-dist-in 10.8 APE10-dist-in 6.9386 APE9-dist-out 8.497 None TPO172 TPO172 XRAY 3.8 0.246 0.277 A 565.0 443.0 0 27 27 0 [[16, 268]] 1.0 6b2e 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 6B1UA P54646 8 550 552.0 STU:60601,CG7:60602 Type1,Allosteric Inactive DFGin 7.2691 14.4408 None -129.47, -55.38 -79.75, 100.47 -94.16, 25.18 281.88, 87.91 -69.36, -38.1 out-in out 10.0903 Saltbr-in 2.8061 HRD-in -70.7, -48.35 62.09, 8.12 in-in-out SNCiio in-out ActLoopNT-in 3.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -119.71, 141.45 APE9-dihe-na 98.59, 173.56 APE8-dihe-in -72.38, 142.58 APE8-rot-out 181.03 APE67-dihe-in -62.9, -27.33 -58.67, -32.16 APE12-dist-in 7.9718 APE11-dist-in 10.5218 APE10-dist-in 4.9765 APE9-dist-in 3.8757 None TPO172 TPO172 XRAY 2.77 0.196 0.226 A 565.0 442.0 0 27 27 0 [[16, 268]] 1.0 6b1u 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

Ligand: CG7

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 6B1UC
DFGin BLAminus 1 33.3% 6B2EA
DFGin None 1 33.3% 6B1UA
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 6B1UC P54646 9 552 552.0 STU:60601,CG7:60602 Type1,Allosteric Inactive DFGin 7.4516 14.1299 ABAminus -133.95, -50.46 -79.36, 100.93 -96.81, 22.67 283.51, 87.03 -67.96, -35.6 out-out out 10.2466 Saltbr-out 4.344 HRD-in -62.69, -52.12 64.78, 6.12 out-in-out SNCoio in-out ActLoopNT-in 3.0313 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na 59.85, -130.04 APE9-dihe-na -84.76, -170.01 APE8-dihe-in -60.51, 139.79 APE8-rot-out 157.81 APE67-dihe-in -64.49, -24.93 -66.94, -29.94 APE12-dist-in 7.802 APE11-dist-in 10.1021 APE10-dist-in 6.0757 APE9-dist-in 4.4225 None TPO172 TPO172 XRAY 2.77 0.196 0.226 C 565.0 460.0 0 27 27 0 [[16, 268]] 1.0 6b1u 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 6B2EA P54646 9 551 552.0 STU:60601,CG7:60602 Type1,Allosteric Inactive DFGin 6.8359 14.6749 BLAminus -127.75, -179.24 60.25, 73.12 -88.18, 14.06 273.69, 88.23 -67.6, -15.67 out-none out 10.0019 Saltbr-none 999.0 HRD-out -78.51, 91.55 -68.49, -19.81 none-in-out SNCnio in-out ActLoopNT-in 3.1235 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iiio APE10-dihe-na -70.16, 148.6 APE9-dihe-na -63.35, -41.66 APE8-dihe-in -61.85, 118.31 APE8-rot-out 58.89 APE67-dihe-out -81.11, 165.06 -67.04, -35.27 APE12-dist-in 8.4672 APE11-dist-in 10.8 APE10-dist-in 6.9386 APE9-dist-out 8.497 None TPO172 TPO172 XRAY 3.8 0.246 0.277 A 565.0 443.0 0 27 27 0 [[16, 268]] 1.0 6b2e 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 6B1UA P54646 8 550 552.0 STU:60601,CG7:60602 Type1,Allosteric Inactive DFGin 7.2691 14.4408 None -129.47, -55.38 -79.75, 100.47 -94.16, 25.18 281.88, 87.91 -69.36, -38.1 out-in out 10.0903 Saltbr-in 2.8061 HRD-in -70.7, -48.35 62.09, 8.12 in-in-out SNCiio in-out ActLoopNT-in 3.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -119.71, 141.45 APE9-dihe-na 98.59, 173.56 APE8-dihe-in -72.38, 142.58 APE8-rot-out 181.03 APE67-dihe-in -62.9, -27.33 -58.67, -32.16 APE12-dist-in 7.9718 APE11-dist-in 10.5218 APE10-dist-in 4.9765 APE9-dist-in 3.8757 None TPO172 TPO172 XRAY 2.77 0.196 0.226 A 565.0 442.0 0 27 27 0 [[16, 268]] 1.0 6b1u 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

Ligand: CG7

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