| 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 | 9FR9A | P49841 | 25 | 385 | 420.0 | A1IE6:501 | Type1 | Active | DFGin | 7.0374 | 14.3248 | BLAminus | -140.22, -173.71 | 59.89, 84.2 | -98.36, 22.56 | 286.21, 81.87 | -68.06, -16.06 | in-in | in | 8.4621 | Saltbr-in | 2.928 | HRD-in | -72.09, -48.73 | 72.37, 5.47 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9713 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.48, 176.45 | APE9-dihe-na | 79.51, 153.1 | APE8-dihe-in | -106.78, 146.27 | APE8-rot-in | 287.32 | APE67-dihe-inflip | 100.87, -37.49 | -40.18, 126.82 | APE12-dist-in | 13.0195 | APE11-dist-in | 11.0304 | APE10-dist-in | 5.997 | APE9-dist-in | 3.1732 | None | None | None | XRAY | 2.55 | 0.197 | 0.234 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr9 | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9FR9B | P49841 | 36 | 382 | 420.0 | A1IE6:501 | Type1 | Active | DFGin | 6.9697 | 14.4133 | BLAminus | -146.13, 179.78 | 62.16, 86.8 | -103.01, 25.64 | 284.6, 80.86 | -74.54, -16.98 | in-in | in | 8.7597 | Saltbr-in | 3.487 | HRD-in | -67.74, -52.21 | 72.42, 13.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.09, 170.35 | APE9-dihe-na | 79.85, 140.07 | APE8-dihe-in | -93.7, 153.67 | APE8-rot-in | 288.81 | APE67-dihe-inflip | 99.37, -31.56 | -52.24, 133.09 | APE12-dist-in | 12.9815 | APE11-dist-in | 10.8097 | APE10-dist-in | 5.7912 | APE9-dist-in | 3.1814 | None | None | None | XRAY | 2.55 | 0.197 | 0.234 | B | 442.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr9 | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9FR9A | P49841 | 25 | 385 | 420.0 | A1IE6:501 | Type1 | Active | DFGin | 7.0374 | 14.3248 | BLAminus | -140.22, -173.71 | 59.89, 84.2 | -98.36, 22.56 | 286.21, 81.87 | -68.06, -16.06 | in-in | in | 8.4621 | Saltbr-in | 2.928 | HRD-in | -72.09, -48.73 | 72.37, 5.47 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9713 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.48, 176.45 | APE9-dihe-na | 79.51, 153.1 | APE8-dihe-in | -106.78, 146.27 | APE8-rot-in | 287.32 | APE67-dihe-inflip | 100.87, -37.49 | -40.18, 126.82 | APE12-dist-in | 13.0195 | APE11-dist-in | 11.0304 | APE10-dist-in | 5.997 | APE9-dist-in | 3.1732 | None | None | None | XRAY | 2.55 | 0.197 | 0.234 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr9 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9FR9B | P49841 | 36 | 382 | 420.0 | A1IE6:501 | Type1 | Active | DFGin | 6.9697 | 14.4133 | BLAminus | -146.13, 179.78 | 62.16, 86.8 | -103.01, 25.64 | 284.6, 80.86 | -74.54, -16.98 | in-in | in | 8.7597 | Saltbr-in | 3.487 | HRD-in | -67.74, -52.21 | 72.42, 13.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8715 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.09, 170.35 | APE9-dihe-na | 79.85, 140.07 | APE8-dihe-in | -93.7, 153.67 | APE8-rot-in | 288.81 | APE67-dihe-inflip | 99.37, -31.56 | -52.24, 133.09 | APE12-dist-in | 12.9815 | APE11-dist-in | 10.8097 | APE10-dist-in | 5.7912 | APE9-dist-in | 3.1814 | None | None | None | XRAY | 2.55 | 0.197 | 0.234 | B | 442.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr9 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 |
|---|