| 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 |
| 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 |
| 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 |
|---|