| 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 | 9FR5A | P49841 | 25 | 385 | 420.0 | A1IE8:501 | Type1 | Active | DFGin | 7.0632 | 14.321 | BLAminus | -141.02, 178.57 | 59.76, 86.64 | -101.14, 27.38 | 287.09, 76.28 | -70.78, -13.94 | in-in | in | 8.3627 | Saltbr-in | 2.8669 | HRD-in | -72.5, -48.23 | 71.7, 12.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9846 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.15, 177.99 | APE9-dihe-na | 68.95, 145.14 | APE8-dihe-in | -94.16, 151.35 | APE8-rot-in | 288.71 | APE67-dihe-inflip | 90.22, -34.5 | -47.82, 143.36 | APE12-dist-in | 13.1043 | APE11-dist-in | 11.1055 | APE10-dist-in | 6.1672 | APE9-dist-in | 3.1855 | None | None | None | XRAY | 2.3 | 0.204 | 0.235 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr5 | 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 | 9FR5B | P49841 | 36 | 382 | 420.0 | A1IE8:501 | Type1 | Active | DFGin | 7.0679 | 14.3968 | BLAminus | -143.23, 179.4 | 62.21, 84.47 | -103.42, 28.19 | 287.66, 78.04 | -72.31, -18.53 | in-in | in | 8.6835 | Saltbr-in | 2.9648 | HRD-in | -72.41, -47.52 | 71.61, 14.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.921 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.66, -179.45 | APE9-dihe-na | 68.77, 147.4 | APE8-dihe-in | -97.67, 156.22 | APE8-rot-in | 283.57 | APE67-dihe-inflip | 84.77, -33.0 | -49.59, 145.66 | APE12-dist-in | 13.0555 | APE11-dist-in | 10.9532 | APE10-dist-in | 5.9863 | APE9-dist-in | 3.1875 | None | None | None | XRAY | 2.3 | 0.204 | 0.235 | B | 442.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr5 | 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 | 9FR5A | P49841 | 25 | 385 | 420.0 | A1IE8:501 | Type1 | Active | DFGin | 7.0632 | 14.321 | BLAminus | -141.02, 178.57 | 59.76, 86.64 | -101.14, 27.38 | 287.09, 76.28 | -70.78, -13.94 | in-in | in | 8.3627 | Saltbr-in | 2.8669 | HRD-in | -72.5, -48.23 | 71.7, 12.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9846 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.15, 177.99 | APE9-dihe-na | 68.95, 145.14 | APE8-dihe-in | -94.16, 151.35 | APE8-rot-in | 288.71 | APE67-dihe-inflip | 90.22, -34.5 | -47.82, 143.36 | APE12-dist-in | 13.1043 | APE11-dist-in | 11.1055 | APE10-dist-in | 6.1672 | APE9-dist-in | 3.1855 | None | None | None | XRAY | 2.3 | 0.204 | 0.235 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr5 | 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 | 9FR5B | P49841 | 36 | 382 | 420.0 | A1IE8:501 | Type1 | Active | DFGin | 7.0679 | 14.3968 | BLAminus | -143.23, 179.4 | 62.21, 84.47 | -103.42, 28.19 | 287.66, 78.04 | -72.31, -18.53 | in-in | in | 8.6835 | Saltbr-in | 2.9648 | HRD-in | -72.41, -47.52 | 71.61, 14.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.921 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.66, -179.45 | APE9-dihe-na | 68.77, 147.4 | APE8-dihe-in | -97.67, 156.22 | APE8-rot-in | 283.57 | APE67-dihe-inflip | 84.77, -33.0 | -49.59, 145.66 | APE12-dist-in | 13.0555 | APE11-dist-in | 10.9532 | APE10-dist-in | 5.9863 | APE9-dist-in | 3.1875 | None | None | None | XRAY | 2.3 | 0.204 | 0.235 | B | 442.0 | 347.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9fr5 | 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 |
|---|