| 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 | 1GNGA | P49841 | 36 | 385 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.8854 | 14.0642 | BLAminus | -143.26, -176.0 | 52.72, 77.37 | -90.17, 24.13 | 284.09, 64.37 | -57.11, -28.67 | in-in | in | 7.9042 | Saltbr-in | 2.9159 | HRD-in | -73.29, -39.28 | 60.06, 11.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8439 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.61, 159.4 | APE9-dihe-na | 81.31, 139.52 | APE8-dihe-in | -59.26, 125.44 | APE8-rot-in | 312.57 | APE67-dihe-in | -52.62, -25.58 | -28.83, -64.47 | APE12-dist-in | 13.5503 | APE11-dist-in | 11.9569 | APE10-dist-in | 7.016 | APE9-dist-in | 3.1105 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.196 | 0.262 | A | 378.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1gng | CMGC_GSK3B_HUMAN | CMGC | 2.3e-70 | 243.3 | 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 | 1GNGB | P49841 | 28 | 384 | 420.0 | No_ligand | No_ligand | Active | DFGin | 7.075 | 14.1431 | BLAminus | -137.26, -174.12 | 57.41, 76.0 | -92.3, 24.73 | 292.83, 74.1 | -62.54, -16.26 | in-in | in | 8.1028 | Saltbr-in | 2.801 | HRD-in | -56.65, -46.78 | 67.13, 3.53 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0528 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -150.46, 162.71 | APE9-dihe-na | 73.79, 160.3 | APE8-dihe-in | -71.09, 143.31 | APE8-rot-in | 306.45 | APE67-dihe-in | -62.51, -22.51 | -44.24, -51.03 | APE12-dist-in | 13.4613 | APE11-dist-in | 11.7372 | APE10-dist-in | 7.2333 | APE9-dist-in | 3.2921 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.196 | 0.262 | B | 378.0 | 357.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1gng | CMGC_GSK3B_HUMAN | CMGC | 2.3e-70 | 243.3 | 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 | 1GNGA | P49841 | 36 | 385 | 420.0 | No_ligand | No_ligand | Active | DFGin | 6.8854 | 14.0642 | BLAminus | -143.26, -176.0 | 52.72, 77.37 | -90.17, 24.13 | 284.09, 64.37 | -57.11, -28.67 | in-in | in | 7.9042 | Saltbr-in | 2.9159 | HRD-in | -73.29, -39.28 | 60.06, 11.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8439 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.61, 159.4 | APE9-dihe-na | 81.31, 139.52 | APE8-dihe-in | -59.26, 125.44 | APE8-rot-in | 312.57 | APE67-dihe-in | -52.62, -25.58 | -28.83, -64.47 | APE12-dist-in | 13.5503 | APE11-dist-in | 11.9569 | APE10-dist-in | 7.016 | APE9-dist-in | 3.1105 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.196 | 0.262 | A | 378.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1gng | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.3e-70 | 243.3 | 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 | 1GNGB | P49841 | 28 | 384 | 420.0 | No_ligand | No_ligand | Active | DFGin | 7.075 | 14.1431 | BLAminus | -137.26, -174.12 | 57.41, 76.0 | -92.3, 24.73 | 292.83, 74.1 | -62.54, -16.26 | in-in | in | 8.1028 | Saltbr-in | 2.801 | HRD-in | -56.65, -46.78 | 67.13, 3.53 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0528 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -150.46, 162.71 | APE9-dihe-na | 73.79, 160.3 | APE8-dihe-in | -71.09, 143.31 | APE8-rot-in | 306.45 | APE67-dihe-in | -62.51, -22.51 | -44.24, -51.03 | APE12-dist-in | 13.4613 | APE11-dist-in | 11.7372 | APE10-dist-in | 7.2333 | APE9-dist-in | 3.2921 | None | PTR216 | PTR216 | XRAY | 2.6 | 0.196 | 0.262 | B | 378.0 | 357.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1gng | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.3e-70 | 243.3 | 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 |
|---|