| 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 | 6GN1A | P49841 | 36 | 383 | 420.0 | F4N:502 | Type1 | Inactive | DFGin | 6.9399 | 14.3347 | BLAminus | -135.29, 179.1 | 59.47, 89.49 | -98.73, 29.98 | 286.18, 72.49 | -75.74, -10.8 | in-in | in | 8.608 | Saltbr-in | 3.0396 | HRD-in | -74.24, -44.22 | 64.59, 22.98 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9401 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiii | APE10-dihe-na | -143.03, -18.16 | APE9-dihe-na | -103.04, 175.18 | APE8-dihe-in | -67.81, 136.03 | APE8-rot-out | 187.31 | APE67-dihe-in | -61.67, -27.65 | -44.51, -52.79 | APE12-dist-out | 14.0101 | APE11-dist-in | 12.3553 | APE10-dist-in | 7.3869 | APE9-dist-in | 3.5875 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.224 | 0.259 | A | 368.0 | 340.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6gn1 | CMGC_GSK3B_HUMAN | CMGC | 2.1e-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 | 6GN1B | P49841 | 36 | 383 | 420.0 | F4N:502 | Type1 | Inactive | DFGin | 6.9439 | 14.317 | BLAminus | -135.3, 179.27 | 59.56, 89.49 | -98.78, 30.1 | 286.37, 73.15 | -75.82, -10.91 | in-in | in | 8.6216 | Saltbr-in | 3.0339 | HRD-in | -74.17, -44.23 | 64.47, 22.86 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9462 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiii | APE10-dihe-na | -129.39, -14.9 | APE9-dihe-na | -108.68, -179.33 | APE8-dihe-in | -68.02, 134.54 | APE8-rot-out | 210.75 | APE67-dihe-in | -62.25, -27.68 | -44.3, -51.95 | APE12-dist-out | 14.0238 | APE11-dist-in | 12.1834 | APE10-dist-in | 7.4033 | APE9-dist-in | 3.6999 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.224 | 0.259 | B | 368.0 | 340.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6gn1 | CMGC_GSK3B_HUMAN | CMGC | 2.1e-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 | 6GN1A | P49841 | 36 | 383 | 420.0 | F4N:502 | Type1 | Inactive | DFGin | 6.9399 | 14.3347 | BLAminus | -135.29, 179.1 | 59.47, 89.49 | -98.73, 29.98 | 286.18, 72.49 | -75.74, -10.8 | in-in | in | 8.608 | Saltbr-in | 3.0396 | HRD-in | -74.24, -44.22 | 64.59, 22.98 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9401 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiii | APE10-dihe-na | -143.03, -18.16 | APE9-dihe-na | -103.04, 175.18 | APE8-dihe-in | -67.81, 136.03 | APE8-rot-out | 187.31 | APE67-dihe-in | -61.67, -27.65 | -44.51, -52.79 | APE12-dist-out | 14.0101 | APE11-dist-in | 12.3553 | APE10-dist-in | 7.3869 | APE9-dist-in | 3.5875 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.224 | 0.259 | A | 368.0 | 340.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6gn1 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.1e-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 | 6GN1B | P49841 | 36 | 383 | 420.0 | F4N:502 | Type1 | Inactive | DFGin | 6.9439 | 14.317 | BLAminus | -135.3, 179.27 | 59.56, 89.49 | -98.78, 30.1 | 286.37, 73.15 | -75.82, -10.91 | in-in | in | 8.6216 | Saltbr-in | 3.0339 | HRD-in | -74.17, -44.23 | 64.47, 22.86 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9462 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiii | APE10-dihe-na | -129.39, -14.9 | APE9-dihe-na | -108.68, -179.33 | APE8-dihe-in | -68.02, 134.54 | APE8-rot-out | 210.75 | APE67-dihe-in | -62.25, -27.68 | -44.3, -51.95 | APE12-dist-out | 14.0238 | APE11-dist-in | 12.1834 | APE10-dist-in | 7.4033 | APE9-dist-in | 3.6999 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.224 | 0.259 | B | 368.0 | 340.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 6gn1 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.1e-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 |
|---|