Ligand: MRI

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5AUYA
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 DAPK1 DAPK1_HUMAN 5AUYA P53355 2 277 1430.0 MRI:300 Type1.5_Back Inactive DFGin 6.5668 14.6175 BLAminus -127.6, -178.86 62.75, 89.23 -104.81, 29.09 284.16, 77.06 -67.46, -24.81 in-out in 9.913 Saltbr-out 4.3477 HRD-in -75.07, -49.86 69.7, 7.73 out-in-out SNCoio in-out ActLoopNT-in 2.8305 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -163.44, 111.14 APE9-dihe-na -98.61, -137.93 APE8-dihe-in -87.6, 120.48 APE8-rot-in 298.56 APE67-dihe-in -64.24, -22.04 -42.07, -42.35 APE12-dist-in 10.0072 APE11-dist-out 6.4445 APE10-dist-out 9.1354 APE9-dist-in 4.6329 None None None XRAY 2.0 0.209 0.249 A 293.0 275.0 1 27 27 0 [[13, 275]] 1.0 5auy CAMK_DAPK1_HUMAN CAMK 6.1e-95 323.3 1.0 256.0 256.0 160 161 162 164 166 42 64 68 136 138 137 139.0 199 187 182 181 180 179 178 177 176 94 Death-associated protein kinase 1

Ligand: MRI

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5AUYA
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 DAPK1 DAPK1_HUMAN 5AUYA P53355 2 277 1430.0 MRI:300 Type1.5_Back Inactive DFGin 6.5668 14.6175 BLAminus -127.6, -178.86 62.75, 89.23 -104.81, 29.09 284.16, 77.06 -67.46, -24.81 in-out in 9.913 Saltbr-out 4.3477 HRD-in -75.07, -49.86 69.7, 7.73 out-in-out SNCoio in-out ActLoopNT-in 2.8305 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -163.44, 111.14 APE9-dihe-na -98.61, -137.93 APE8-dihe-in -87.6, 120.48 APE8-rot-in 298.56 APE67-dihe-in -64.24, -22.04 -42.07, -42.35 APE12-dist-in 10.0072 APE11-dist-out 6.4445 APE10-dist-out 9.1354 APE9-dist-in 4.6329 None None None XRAY 2.0 0.209 0.249 A 293.0 275.0 1 27 27 0 [[13, 275]] 1.0 5auy Homo sapiens CAMK_DAPK1_HUMAN CAMK 6.1e-95 323.3 1.0 256.0 256.0 160 161 162 164 166 42 64 68 136 138 137 139.0 199 187 182 181 180 179 178 177 176 94 Death-associated protein kinase 1
CMGC GSK3B GSK3B_MOUSE 6AE3A Q9WV60 36 387 420.0 MRI:501 Type1 Inactive DFGin 6.8942 14.102 BLAminus -136.0, 177.47 66.33, 76.64 -88.44, 20.33 285.85, 84.43 -66.44, -23.98 in-in in 8.8767 Saltbr-in 2.9541 HRD-in -71.52, -49.56 71.35, 12.25 in-in-out SNCiio in-out ActLoopNT-in 3.032 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -136.99, -47.87 APE9-dihe-na -84.23, -172.24 APE8-dihe-in -75.59, 135.74 APE8-rot-out 167.98 APE67-dihe-in -65.02, -21.79 -52.52, -47.78 APE12-dist-in 13.6917 APE11-dist-in 12.0236 APE10-dist-in 7.3136 APE9-dist-in 3.3344 None PTR216 PTR216 XRAY 2.14 0.192 0.226 A 420.0 348.0 4 27 27 0 [[56, 340]] 1.0 6ae3 Mus musculus CMGC_GSK3B_MOUSE CMGC 3.2e-70 242.8 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_MOUSE 6AE3B Q9WV60 36 384 420.0 MRI:501 Type1 Inactive DFGin 6.7389 14.0903 BLAminus -133.31, 179.77 64.96, 75.18 -85.96, 22.4 281.26, 80.21 -65.67, -27.09 in-in in 8.9797 Saltbr-in 3.0191 HRD-in -70.11, -50.99 71.74, 15.55 in-in-out SNCiio in-out ActLoopNT-in 2.9225 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.24, -38.47 APE9-dihe-na -87.03, 178.23 APE8-dihe-in -68.15, 134.76 APE8-rot-out 177.54 APE67-dihe-in -64.59, -23.54 -47.57, -47.97 APE12-dist-in 13.6259 APE11-dist-in 11.9079 APE10-dist-in 6.6939 APE9-dist-in 3.4142 None PTR216 PTR216 XRAY 2.14 0.192 0.226 B 420.0 344.0 5 27 27 0 [[56, 340]] 1.0 6ae3 Mus musculus CMGC_GSK3B_MOUSE CMGC 3.2e-70 242.8 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta

Ligand: MRI

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% 6AE3A
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
CMGC GSK3B GSK3B_MOUSE 6AE3A Q9WV60 36 387 420.0 MRI:501 Type1 Inactive DFGin 6.8942 14.102 BLAminus -136.0, 177.47 66.33, 76.64 -88.44, 20.33 285.85, 84.43 -66.44, -23.98 in-in in 8.8767 Saltbr-in 2.9541 HRD-in -71.52, -49.56 71.35, 12.25 in-in-out SNCiio in-out ActLoopNT-in 3.032 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -136.99, -47.87 APE9-dihe-na -84.23, -172.24 APE8-dihe-in -75.59, 135.74 APE8-rot-out 167.98 APE67-dihe-in -65.02, -21.79 -52.52, -47.78 APE12-dist-in 13.6917 APE11-dist-in 12.0236 APE10-dist-in 7.3136 APE9-dist-in 3.3344 None PTR216 PTR216 XRAY 2.14 0.192 0.226 A 420.0 348.0 4 27 27 0 [[56, 340]] 1.0 6ae3 Mus musculus CMGC_GSK3B_MOUSE CMGC 3.2e-70 242.8 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_MOUSE 6AE3B Q9WV60 36 384 420.0 MRI:501 Type1 Inactive DFGin 6.7389 14.0903 BLAminus -133.31, 179.77 64.96, 75.18 -85.96, 22.4 281.26, 80.21 -65.67, -27.09 in-in in 8.9797 Saltbr-in 3.0191 HRD-in -70.11, -50.99 71.74, 15.55 in-in-out SNCiio in-out ActLoopNT-in 2.9225 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.24, -38.47 APE9-dihe-na -87.03, 178.23 APE8-dihe-in -68.15, 134.76 APE8-rot-out 177.54 APE67-dihe-in -64.59, -23.54 -47.57, -47.97 APE12-dist-in 13.6259 APE11-dist-in 11.9079 APE10-dist-in 6.6939 APE9-dist-in 3.4142 None PTR216 PTR216 XRAY 2.14 0.192 0.226 B 420.0 344.0 5 27 27 0 [[56, 340]] 1.0 6ae3 Mus musculus CMGC_GSK3B_MOUSE CMGC 3.2e-70 242.8 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta