| 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 | 4PTGA | P49841 | 36 | 382 | 420.0 | 2WG:501 | Type1 | Active | DFGin | 7.0033 | 13.9163 | BLAminus | -132.5, 179.85 | 66.28, 92.0 | -106.7, 26.9 | 285.24, 77.28 | -68.07, -25.88 | in-in | in | 8.5408 | Saltbr-in | 2.8279 | HRD-in | -68.57, -44.88 | 68.54, 10.31 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.939 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.39, 169.96 | APE9-dihe-na | 80.02, 147.16 | APE8-dihe-in | -96.08, 142.52 | APE8-rot-in | 290.31 | APE67-dihe-inflip | 90.23, -35.22 | -45.66, 142.01 | APE12-dist-in | 13.0565 | APE11-dist-in | 11.0186 | APE10-dist-in | 6.1199 | APE9-dist-in | 3.284 | None | None | None | XRAY | 2.361 | 0.173 | 0.211 | A | 441.0 | 333.0 | 14 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4ptg | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 | 4PTGB | P49841 | 37 | 385 | 420.0 | 2WG:501 | Type1 | Active | DFGin | 6.9512 | 13.863 | BLAminus | -136.28, -175.42 | 57.62, 87.0 | -101.31, 27.32 | 285.42, 76.21 | -67.67, -26.13 | in-in | in | 8.437 | Saltbr-in | 2.705 | HRD-in | -71.07, -46.44 | 71.76, 6.12 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8995 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.44, 175.88 | APE9-dihe-na | 76.35, 149.91 | APE8-dihe-in | -109.95, 151.08 | APE8-rot-in | 289.69 | APE67-dihe-inflip | 91.44, -30.76 | -44.23, 136.59 | APE12-dist-in | 12.9878 | APE11-dist-in | 11.0088 | APE10-dist-in | 5.9105 | APE9-dist-in | 3.1601 | None | None | None | XRAY | 2.361 | 0.173 | 0.211 | B | 441.0 | 332.0 | 17 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4ptg | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 | 4PTGA | P49841 | 36 | 382 | 420.0 | 2WG:501 | Type1 | Active | DFGin | 7.0033 | 13.9163 | BLAminus | -132.5, 179.85 | 66.28, 92.0 | -106.7, 26.9 | 285.24, 77.28 | -68.07, -25.88 | in-in | in | 8.5408 | Saltbr-in | 2.8279 | HRD-in | -68.57, -44.88 | 68.54, 10.31 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.939 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -81.39, 169.96 | APE9-dihe-na | 80.02, 147.16 | APE8-dihe-in | -96.08, 142.52 | APE8-rot-in | 290.31 | APE67-dihe-inflip | 90.23, -35.22 | -45.66, 142.01 | APE12-dist-in | 13.0565 | APE11-dist-in | 11.0186 | APE10-dist-in | 6.1199 | APE9-dist-in | 3.284 | None | None | None | XRAY | 2.361 | 0.173 | 0.211 | A | 441.0 | 333.0 | 14 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4ptg | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 | 4PTGB | P49841 | 37 | 385 | 420.0 | 2WG:501 | Type1 | Active | DFGin | 6.9512 | 13.863 | BLAminus | -136.28, -175.42 | 57.62, 87.0 | -101.31, 27.32 | 285.42, 76.21 | -67.67, -26.13 | in-in | in | 8.437 | Saltbr-in | 2.705 | HRD-in | -71.07, -46.44 | 71.76, 6.12 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8995 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.44, 175.88 | APE9-dihe-na | 76.35, 149.91 | APE8-dihe-in | -109.95, 151.08 | APE8-rot-in | 289.69 | APE67-dihe-inflip | 91.44, -30.76 | -44.23, 136.59 | APE12-dist-in | 12.9878 | APE11-dist-in | 11.0088 | APE10-dist-in | 5.9105 | APE9-dist-in | 3.1601 | None | None | None | XRAY | 2.361 | 0.173 | 0.211 | B | 441.0 | 332.0 | 17 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4ptg | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-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 |
|---|