| 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 | 8AV1A | P49841 | 27 | 381 | 420.0 | O9L:406 | Type1 | Inactive | DFGin | 7.0048 | 13.8018 | BLAminus | -134.83, 176.12 | 61.29, 85.31 | -97.92, 27.58 | 284.57, 74.39 | -70.18, -20.31 | in-in | in | 8.4199 | Saltbr-in | 2.6588 | HRD-in | -72.82, -53.06 | 75.09, 11.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8108 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -162.3, 153.55 | APE9-dihe-na | 79.71, 140.85 | APE8-dihe-in | -55.94, 133.71 | APE8-rot-out | 187.25 | APE67-dihe-in | -61.14, -25.49 | -46.06, -52.45 | APE12-dist-in | 13.2676 | APE11-dist-in | 11.4128 | APE10-dist-in | 6.8843 | APE9-dist-in | 3.0607 | None | PTR216 | PTR216 | XRAY | 2.15 | 0.18 | 0.21 | A | 365.0 | 351.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8av1 | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 | 8AV1B | P49841 | 27 | 381 | 420.0 | O9L:405 | Type1 | Inactive | DFGin | 7.0411 | 13.8178 | BLAminus | -134.53, 176.17 | 61.15, 83.84 | -96.42, 28.03 | 285.62, 75.68 | -72.4, -19.61 | in-in | in | 8.3507 | Saltbr-in | 2.6481 | HRD-in | -70.84, -52.05 | 73.58, 16.86 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.809 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -159.36, 152.7 | APE9-dihe-na | 82.35, 142.4 | APE8-dihe-in | -57.42, 133.83 | APE8-rot-out | 184.71 | APE67-dihe-in | -59.68, -24.96 | -48.86, -51.78 | APE12-dist-in | 13.2597 | APE11-dist-in | 11.441 | APE10-dist-in | 6.8498 | APE9-dist-in | 3.0597 | None | PTR216 | PTR216 | XRAY | 2.15 | 0.18 | 0.21 | B | 365.0 | 351.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8av1 | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 | 8AV1A | P49841 | 27 | 381 | 420.0 | O9L:406 | Type1 | Inactive | DFGin | 7.0048 | 13.8018 | BLAminus | -134.83, 176.12 | 61.29, 85.31 | -97.92, 27.58 | 284.57, 74.39 | -70.18, -20.31 | in-in | in | 8.4199 | Saltbr-in | 2.6588 | HRD-in | -72.82, -53.06 | 75.09, 11.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8108 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -162.3, 153.55 | APE9-dihe-na | 79.71, 140.85 | APE8-dihe-in | -55.94, 133.71 | APE8-rot-out | 187.25 | APE67-dihe-in | -61.14, -25.49 | -46.06, -52.45 | APE12-dist-in | 13.2676 | APE11-dist-in | 11.4128 | APE10-dist-in | 6.8843 | APE9-dist-in | 3.0607 | None | PTR216 | PTR216 | XRAY | 2.15 | 0.18 | 0.21 | A | 365.0 | 351.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8av1 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 | 8AV1B | P49841 | 27 | 381 | 420.0 | O9L:405 | Type1 | Inactive | DFGin | 7.0411 | 13.8178 | BLAminus | -134.53, 176.17 | 61.15, 83.84 | -96.42, 28.03 | 285.62, 75.68 | -72.4, -19.61 | in-in | in | 8.3507 | Saltbr-in | 2.6481 | HRD-in | -70.84, -52.05 | 73.58, 16.86 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.809 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -159.36, 152.7 | APE9-dihe-na | 82.35, 142.4 | APE8-dihe-in | -57.42, 133.83 | APE8-rot-out | 184.71 | APE67-dihe-in | -59.68, -24.96 | -48.86, -51.78 | APE12-dist-in | 13.2597 | APE11-dist-in | 11.441 | APE10-dist-in | 6.8498 | APE9-dist-in | 3.0597 | None | PTR216 | PTR216 | XRAY | 2.15 | 0.18 | 0.21 | B | 365.0 | 351.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8av1 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 |
|---|