Ligand: KDI

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4ACHA
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 4ACHA P49841 35 385 420.0 KDI:1386 Type1 Active DFGin 7.1308 13.8433 BLAminus -136.87, 179.55 65.58, 91.16 -104.2, 25.64 286.28, 84.07 -69.39, -35.2 in-in in 8.2337 Saltbr-in 2.9352 HRD-in -61.5, -48.36 72.42, -0.28 in-in-in SNCiii in-in ActLoopNT-in 2.9817 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -90.62, 166.44 APE9-dihe-na 83.56, 135.36 APE8-dihe-in -86.16, 143.31 APE8-rot-in 295.11 APE67-dihe-inflip 98.78, -32.06 -48.27, 133.26 APE12-dist-in 12.998 APE11-dist-in 11.0588 APE10-dist-in 5.9833 APE9-dist-in 3.3216 None None None XRAY 2.6 0.231 0.252 A 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4ach CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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 4ACHB P49841 35 385 420.0 KDI:1386 Type1 Active DFGin 7.0809 13.7158 BLAminus -136.91, 178.72 65.4, 91.31 -104.6, 25.63 285.26, 83.9 -68.47, -34.59 in-in in 8.3598 Saltbr-in 2.9378 HRD-in -60.93, -48.9 72.19, 0.38 in-in-in SNCiii in-in ActLoopNT-in 2.9768 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.1, 166.35 APE9-dihe-na 83.22, 136.77 APE8-dihe-in -87.16, 144.14 APE8-rot-in 294.96 APE67-dihe-inflip 98.6, -31.77 -49.65, 133.73 APE12-dist-in 12.9349 APE11-dist-in 10.9849 APE10-dist-in 5.9381 APE9-dist-in 3.2896 None None None XRAY 2.6 0.231 0.252 B 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4ach CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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: KDI

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4ACHA
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 4ACHA P49841 35 385 420.0 KDI:1386 Type1 Active DFGin 7.1308 13.8433 BLAminus -136.87, 179.55 65.58, 91.16 -104.2, 25.64 286.28, 84.07 -69.39, -35.2 in-in in 8.2337 Saltbr-in 2.9352 HRD-in -61.5, -48.36 72.42, -0.28 in-in-in SNCiii in-in ActLoopNT-in 2.9817 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -90.62, 166.44 APE9-dihe-na 83.56, 135.36 APE8-dihe-in -86.16, 143.31 APE8-rot-in 295.11 APE67-dihe-inflip 98.78, -32.06 -48.27, 133.26 APE12-dist-in 12.998 APE11-dist-in 11.0588 APE10-dist-in 5.9833 APE9-dist-in 3.3216 None None None XRAY 2.6 0.231 0.252 A 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4ach Homo sapiens CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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 4ACHB P49841 35 385 420.0 KDI:1386 Type1 Active DFGin 7.0809 13.7158 BLAminus -136.91, 178.72 65.4, 91.31 -104.6, 25.63 285.26, 83.9 -68.47, -34.59 in-in in 8.3598 Saltbr-in 2.9378 HRD-in -60.93, -48.9 72.19, 0.38 in-in-in SNCiii in-in ActLoopNT-in 2.9768 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.1, 166.35 APE9-dihe-na 83.22, 136.77 APE8-dihe-in -87.16, 144.14 APE8-rot-in 294.96 APE67-dihe-inflip 98.6, -31.77 -49.65, 133.73 APE12-dist-in 12.9349 APE11-dist-in 10.9849 APE10-dist-in 5.9381 APE9-dist-in 3.2896 None None None XRAY 2.6 0.231 0.252 B 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4ach Homo sapiens CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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: KDI

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