| 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 | 3ZRKA | P49841 | 36 | 384 | 420.0 | ZRK:1400 | Type1 | Active | DFGin | 6.8856 | 13.908 | BLAminus | -131.68, 179.96 | 63.1, 79.53 | -95.35, 25.37 | 286.53, 78.64 | -74.21, -8.59 | in-in | in | 8.4741 | Saltbr-in | 2.7497 | HRD-in | -67.17, -50.87 | 73.03, 10.45 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8412 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.35, 160.84 | APE9-dihe-na | 74.59, 142.57 | APE8-dihe-in | -61.86, 136.31 | APE8-rot-in | 305.46 | APE67-dihe-in | -59.75, -23.44 | -46.23, -50.56 | APE12-dist-in | 13.3769 | APE11-dist-in | 11.6698 | APE10-dist-in | 7.0029 | APE9-dist-in | 3.1599 | None | PTR216 | PTR216 | XRAY | 2.37 | 0.201 | 0.243 | A | 371.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3zrk | CMGC_GSK3B_HUMAN | CMGC | 2.2e-70 | 243.4 | 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 | 3ZRKB | P49841 | 36 | 384 | 420.0 | ZRK:1400 | Type1 | Active | DFGin | 6.7154 | 14.0168 | BLAminus | -139.49, -177.28 | 57.97, 77.09 | -90.4, 24.0 | 286.01, 81.23 | -69.91, -16.36 | in-in | in | 8.587 | Saltbr-in | 2.7319 | HRD-in | -64.4, -48.95 | 71.37, 3.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8439 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.35, 163.72 | APE9-dihe-na | 73.35, 153.59 | APE8-dihe-in | -70.79, 138.65 | APE8-rot-in | 292.42 | APE67-dihe-in | -62.81, -26.76 | -44.91, -48.41 | APE12-dist-in | 13.3599 | APE11-dist-in | 11.4817 | APE10-dist-in | 6.8819 | APE9-dist-in | 3.1614 | None | PTR216 | PTR216 | XRAY | 2.37 | 0.201 | 0.243 | B | 371.0 | 349.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3zrk | CMGC_GSK3B_HUMAN | CMGC | 2.2e-70 | 243.4 | 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 |
| 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 | 3ZRKA | P49841 | 36 | 384 | 420.0 | ZRK:1400 | Type1 | Active | DFGin | 6.8856 | 13.908 | BLAminus | -131.68, 179.96 | 63.1, 79.53 | -95.35, 25.37 | 286.53, 78.64 | -74.21, -8.59 | in-in | in | 8.4741 | Saltbr-in | 2.7497 | HRD-in | -67.17, -50.87 | 73.03, 10.45 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8412 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.35, 160.84 | APE9-dihe-na | 74.59, 142.57 | APE8-dihe-in | -61.86, 136.31 | APE8-rot-in | 305.46 | APE67-dihe-in | -59.75, -23.44 | -46.23, -50.56 | APE12-dist-in | 13.3769 | APE11-dist-in | 11.6698 | APE10-dist-in | 7.0029 | APE9-dist-in | 3.1599 | None | PTR216 | PTR216 | XRAY | 2.37 | 0.201 | 0.243 | A | 371.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3zrk | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.2e-70 | 243.4 | 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 | 3ZRKB | P49841 | 36 | 384 | 420.0 | ZRK:1400 | Type1 | Active | DFGin | 6.7154 | 14.0168 | BLAminus | -139.49, -177.28 | 57.97, 77.09 | -90.4, 24.0 | 286.01, 81.23 | -69.91, -16.36 | in-in | in | 8.587 | Saltbr-in | 2.7319 | HRD-in | -64.4, -48.95 | 71.37, 3.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8439 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.35, 163.72 | APE9-dihe-na | 73.35, 153.59 | APE8-dihe-in | -70.79, 138.65 | APE8-rot-in | 292.42 | APE67-dihe-in | -62.81, -26.76 | -44.91, -48.41 | APE12-dist-in | 13.3599 | APE11-dist-in | 11.4817 | APE10-dist-in | 6.8819 | APE9-dist-in | 3.1614 | None | PTR216 | PTR216 | XRAY | 2.37 | 0.201 | 0.243 | B | 371.0 | 349.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3zrk | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.2e-70 | 243.4 | 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 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|