Ligand: Z48

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3I4BA
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
CMGC GSK3B GSK3B_HUMAN 3I4BA P49841 25 385 420.0 Z48:501 Type1 Active DFGin 6.6409 13.6459 BLAminus -134.01, -176.44 58.71, 78.24 -93.71, 24.37 285.69, 79.56 -67.57, -20.03 in-in in 8.4755 Saltbr-in 2.6366 HRD-in -63.92, -46.73 77.65, -7.51 in-in-in SNCiii in-in ActLoopNT-in 2.9496 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -88.08, 174.13 APE9-dihe-na 79.29, 137.44 APE8-dihe-in -92.27, 151.07 APE8-rot-in 303.5 APE67-dihe-inflip 83.63, -1.22 -43.52, 132.98 APE12-dist-in 13.0087 APE11-dist-in 10.9391 APE10-dist-in 5.839 APE9-dist-in 3.1024 None None None XRAY 2.3 0.181 0.222 A 414.0 359.0 0 27 27 0 [[56, 340]] 1.0 3i4b CMGC_GSK3B_HUMAN CMGC 3.1e-70 242.9 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_HUMAN 3I4BB P49841 36 382 420.0 Z48:501 Type1 Active DFGin 7.0103 13.6549 BLAminus -135.85, -175.31 58.14, 77.59 -93.89, 21.58 285.55, 84.81 -65.19, -18.79 in-in in 8.5085 Saltbr-in 2.617 HRD-in -67.57, -44.79 75.92, -6.36 in-in-in SNCiii in-in ActLoopNT-in 2.941 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -87.93, 173.5 APE9-dihe-na 79.53, 137.7 APE8-dihe-in -93.51, 150.41 APE8-rot-in 299.4 APE67-dihe-inflip 78.16, -1.88 -37.33, 134.24 APE12-dist-in 13.0428 APE11-dist-in 10.917 APE10-dist-in 5.8278 APE9-dist-in 3.1154 None None None XRAY 2.3 0.181 0.222 B 414.0 347.0 0 27 27 0 [[56, 340]] 1.0 3i4b CMGC_GSK3B_HUMAN CMGC 3.1e-70 242.9 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 MAPK1 MK01_HUMAN 3I5ZA P28482 8 357 360.0 Z48:60401 Type1 None DFGin 6.9174 15.2488 BLAminus -127.32, 174.22 70.2, 66.73 -83.95, 23.54 288.3, 68.12 -65.3, -33.09 in-in in 9.3126 Saltbr-in 2.7151 HRD-in -75.44, -48.03 71.03, -6.74 in-in-none SNCiin in-none ActLoopNT-in 2.7171 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, -13.55 APE9-dihe-na -121.16, 175.77 APE8-dihe-in -61.26, 116.09 APE8-rot-in 314.5 APE67-dihe-in -57.72, -29.32 -61.25, -36.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 7.8123 APE9-dist-in 4.9538 None None None XRAY 2.2 0.217 0.258 A 380.0 331.0 19 31 17 14 [[25, 313]] 1.0 3i5z CMGC_MAPK1_HUMAN CMGC 1.1e-85 293.5 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1

Ligand: Z48

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3I4BA
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_HUMAN 3I4BA P49841 25 385 420.0 Z48:501 Type1 Active DFGin 6.6409 13.6459 BLAminus -134.01, -176.44 58.71, 78.24 -93.71, 24.37 285.69, 79.56 -67.57, -20.03 in-in in 8.4755 Saltbr-in 2.6366 HRD-in -63.92, -46.73 77.65, -7.51 in-in-in SNCiii in-in ActLoopNT-in 2.9496 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -88.08, 174.13 APE9-dihe-na 79.29, 137.44 APE8-dihe-in -92.27, 151.07 APE8-rot-in 303.5 APE67-dihe-inflip 83.63, -1.22 -43.52, 132.98 APE12-dist-in 13.0087 APE11-dist-in 10.9391 APE10-dist-in 5.839 APE9-dist-in 3.1024 None None None XRAY 2.3 0.181 0.222 A 414.0 359.0 0 27 27 0 [[56, 340]] 1.0 3i4b Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.1e-70 242.9 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_HUMAN 3I4BB P49841 36 382 420.0 Z48:501 Type1 Active DFGin 7.0103 13.6549 BLAminus -135.85, -175.31 58.14, 77.59 -93.89, 21.58 285.55, 84.81 -65.19, -18.79 in-in in 8.5085 Saltbr-in 2.617 HRD-in -67.57, -44.79 75.92, -6.36 in-in-in SNCiii in-in ActLoopNT-in 2.941 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -87.93, 173.5 APE9-dihe-na 79.53, 137.7 APE8-dihe-in -93.51, 150.41 APE8-rot-in 299.4 APE67-dihe-inflip 78.16, -1.88 -37.33, 134.24 APE12-dist-in 13.0428 APE11-dist-in 10.917 APE10-dist-in 5.8278 APE9-dist-in 3.1154 None None None XRAY 2.3 0.181 0.222 B 414.0 347.0 0 27 27 0 [[56, 340]] 1.0 3i4b Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.1e-70 242.9 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 MAPK1 MK01_HUMAN 3I5ZA P28482 8 357 360.0 Z48:60401 Type1 None DFGin 6.9174 15.2488 BLAminus -127.32, 174.22 70.2, 66.73 -83.95, 23.54 288.3, 68.12 -65.3, -33.09 in-in in 9.3126 Saltbr-in 2.7151 HRD-in -75.44, -48.03 71.03, -6.74 in-in-none SNCiin in-none ActLoopNT-in 2.7171 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, -13.55 APE9-dihe-na -121.16, 175.77 APE8-dihe-in -61.26, 116.09 APE8-rot-in 314.5 APE67-dihe-in -57.72, -29.32 -61.25, -36.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 7.8123 APE9-dist-in 4.9538 None None None XRAY 2.2 0.217 0.258 A 380.0 331.0 19 31 17 14 [[25, 313]] 1.0 3i5z Homo sapiens CMGC_MAPK1_HUMAN CMGC 1.1e-85 293.5 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1

Ligand: Z48

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