Ligand: QTN

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8BIKA
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 8BIKA P54646 8 551 552.0 STU:61001,QTN:61002 Type1,Allosteric Inactive DFGin 7.4108 14.1375 BLAminus -139.87, 175.04 60.92, 88.41 -94.92, 18.04 278.75, 87.35 -59.01, -34.32 out-in out 10.1739 Saltbr-in 2.8766 HRD-in -67.48, -51.05 72.2, -5.59 in-in-out SNCiio in-out ActLoopNT-in 3.0285 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -137.52, 150.63 APE9-dihe-na 107.16, 178.8 APE8-dihe-in -62.54, 134.22 APE8-rot-out 175.32 APE67-dihe-in -59.81, -28.17 -63.52, -36.76 APE12-dist-in 7.7788 APE11-dist-in 11.4392 APE10-dist-in 5.7681 APE9-dist-in 4.246 None None None XRAY 2.5 0.183 0.215 A 559.0 451.0 0 27 27 0 [[16, 268]] 1.0 8bik 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 8BIKD P54646 9 551 552.0 STU:61001,QTN:61002 Type1,Allosteric Inactive DFGin 7.384 14.4446 BLAminus -141.24, 172.63 63.28, 83.56 -89.35, 21.67 278.42, 85.15 -58.54, -35.7 out-in out 10.1752 Saltbr-in 2.8052 HRD-in -67.72, -52.05 72.56, -5.24 in-in-out SNCiio in-out ActLoopNT-in 3.0392 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -138.07, 151.38 APE9-dihe-na 109.6, 178.13 APE8-dihe-in -63.22, 133.31 APE8-rot-out 174.24 APE67-dihe-in -63.88, -27.23 -63.0, -33.55 APE12-dist-in 7.8083 APE11-dist-in 11.3382 APE10-dist-in 5.6939 APE9-dist-in 4.2241 None None None XRAY 2.5 0.183 0.215 D 559.0 443.0 0 27 27 0 [[16, 268]] 1.0 8bik 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: QTN

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8BIKA
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 8BIKA P54646 8 551 552.0 STU:61001,QTN:61002 Type1,Allosteric Inactive DFGin 7.4108 14.1375 BLAminus -139.87, 175.04 60.92, 88.41 -94.92, 18.04 278.75, 87.35 -59.01, -34.32 out-in out 10.1739 Saltbr-in 2.8766 HRD-in -67.48, -51.05 72.2, -5.59 in-in-out SNCiio in-out ActLoopNT-in 3.0285 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -137.52, 150.63 APE9-dihe-na 107.16, 178.8 APE8-dihe-in -62.54, 134.22 APE8-rot-out 175.32 APE67-dihe-in -59.81, -28.17 -63.52, -36.76 APE12-dist-in 7.7788 APE11-dist-in 11.4392 APE10-dist-in 5.7681 APE9-dist-in 4.246 None None None XRAY 2.5 0.183 0.215 A 559.0 451.0 0 27 27 0 [[16, 268]] 1.0 8bik 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 8BIKD P54646 9 551 552.0 STU:61001,QTN:61002 Type1,Allosteric Inactive DFGin 7.384 14.4446 BLAminus -141.24, 172.63 63.28, 83.56 -89.35, 21.67 278.42, 85.15 -58.54, -35.7 out-in out 10.1752 Saltbr-in 2.8052 HRD-in -67.72, -52.05 72.56, -5.24 in-in-out SNCiio in-out ActLoopNT-in 3.0392 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -138.07, 151.38 APE9-dihe-na 109.6, 178.13 APE8-dihe-in -63.22, 133.31 APE8-rot-out 174.24 APE67-dihe-in -63.88, -27.23 -63.0, -33.55 APE12-dist-in 7.8083 APE11-dist-in 11.3382 APE10-dist-in 5.6939 APE9-dist-in 4.2241 None None None XRAY 2.5 0.183 0.215 D 559.0 443.0 0 27 27 0 [[16, 268]] 1.0 8bik 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: QTN

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