| 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 | 8XN6A | P49841 | 35 | 384 | 420.0 | ANP:501 | ATPlike | Active | DFGin | 6.682 | 13.8624 | BLAminus | -137.72, 173.39 | 67.73, 84.48 | -99.84, 22.57 | 287.77, 80.54 | -65.33, -24.58 | in-in | in | 8.4632 | Saltbr-in | 2.6302 | HRD-in | -71.05, -47.88 | 67.82, 15.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0543 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.0, 164.43 | APE9-dihe-na | 85.44, 135.36 | APE8-dihe-in | -74.2, 151.55 | APE8-rot-in | 291.81 | APE67-dihe-in | -69.28, -17.83 | -36.59, -67.98 | APE12-dist-in | 12.9066 | APE11-dist-in | 10.7867 | APE10-dist-in | 5.6801 | APE9-dist-in | 3.1824 | None | None | None | XRAY | 2.4 | 0.194 | 0.242 | A | 421.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8xn6 | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 8XN6B | P49841 | 26 | 386 | 420.0 | ANP:501 | ATPlike | Inactive | DFGin | 6.5384 | 13.6503 | BLAminus | -128.79, 173.26 | 73.68, 79.74 | -95.9, 22.51 | 291.63, 80.46 | -68.54, -21.83 | in-in | in | 8.3292 | Saltbr-in | 2.8234 | HRD-in | -66.59, -53.03 | 79.09, 5.6 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9512 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -88.32, 165.9 | APE9-dihe-na | 83.63, 132.42 | APE8-dihe-in | -59.67, 147.17 | APE8-rot-out | 189.94 | APE67-dihe-in | -64.51, -21.68 | -60.38, -49.59 | APE12-dist-in | 13.0235 | APE11-dist-in | 10.9696 | APE10-dist-in | 5.846 | APE9-dist-in | 3.0807 | None | None | None | XRAY | 2.4 | 0.194 | 0.242 | B | 421.0 | 359.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8xn6 | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 8XN6A | P49841 | 35 | 384 | 420.0 | ANP:501 | ATPlike | Active | DFGin | 6.682 | 13.8624 | BLAminus | -137.72, 173.39 | 67.73, 84.48 | -99.84, 22.57 | 287.77, 80.54 | -65.33, -24.58 | in-in | in | 8.4632 | Saltbr-in | 2.6302 | HRD-in | -71.05, -47.88 | 67.82, 15.5 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0543 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.0, 164.43 | APE9-dihe-na | 85.44, 135.36 | APE8-dihe-in | -74.2, 151.55 | APE8-rot-in | 291.81 | APE67-dihe-in | -69.28, -17.83 | -36.59, -67.98 | APE12-dist-in | 12.9066 | APE11-dist-in | 10.7867 | APE10-dist-in | 5.6801 | APE9-dist-in | 3.1824 | None | None | None | XRAY | 2.4 | 0.194 | 0.242 | A | 421.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8xn6 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 8XN6B | P49841 | 26 | 386 | 420.0 | ANP:501 | ATPlike | Inactive | DFGin | 6.5384 | 13.6503 | BLAminus | -128.79, 173.26 | 73.68, 79.74 | -95.9, 22.51 | 291.63, 80.46 | -68.54, -21.83 | in-in | in | 8.3292 | Saltbr-in | 2.8234 | HRD-in | -66.59, -53.03 | 79.09, 5.6 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9512 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -88.32, 165.9 | APE9-dihe-na | 83.63, 132.42 | APE8-dihe-in | -59.67, 147.17 | APE8-rot-out | 189.94 | APE67-dihe-in | -64.51, -21.68 | -60.38, -49.59 | APE12-dist-in | 13.0235 | APE11-dist-in | 10.9696 | APE10-dist-in | 5.846 | APE9-dist-in | 3.0807 | None | None | None | XRAY | 2.4 | 0.194 | 0.242 | B | 421.0 | 359.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8xn6 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 |
|---|