| 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 | 4AFJA | P49841 | 36 | 384 | 420.0 | SJJ:1391 | Type1 | Active | DFGin | 6.9374 | 13.7151 | BLAminus | -130.67, 179.05 | 59.17, 87.64 | -94.83, 20.23 | 280.89, 81.14 | -65.73, -20.9 | in-in | in | 8.572 | Saltbr-in | 2.6523 | HRD-in | -69.53, -45.4 | 65.78, 13.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9368 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.24, 160.98 | APE9-dihe-na | 76.37, 138.38 | APE8-dihe-in | -58.5, 130.27 | APE8-rot-in | 301.13 | APE67-dihe-in | -61.75, -23.96 | -37.58, -52.92 | APE12-dist-in | 13.4348 | APE11-dist-in | 11.6806 | APE10-dist-in | 6.9749 | APE9-dist-in | 3.1929 | None | PTR216 | PTR216 | XRAY | 1.98 | 0.179 | 0.216 | A | 367.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4afj | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 | 4AFJB | P49841 | 34 | 384 | 420.0 | SJJ:1392 | Type1 | Active | DFGin | 6.9478 | 14.0458 | BLAminus | -131.53, 179.02 | 57.76, 85.75 | -93.28, 22.08 | 280.88, 83.41 | -64.33, -20.8 | in-in | in | 8.5255 | Saltbr-in | 2.7428 | HRD-in | -67.39, -46.66 | 68.06, 10.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8765 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.99, 165.35 | APE9-dihe-na | 75.2, 154.5 | APE8-dihe-in | -78.53, 128.88 | APE8-rot-in | 295.4 | APE67-dihe-in | -61.46, -24.46 | -31.5, -55.04 | APE12-dist-in | 13.4761 | APE11-dist-in | 11.5819 | APE10-dist-in | 6.9584 | APE9-dist-in | 3.1461 | None | PTR216 | PTR216 | XRAY | 1.98 | 0.179 | 0.216 | B | 367.0 | 347.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4afj | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 | 4AFJA | P49841 | 36 | 384 | 420.0 | SJJ:1391 | Type1 | Active | DFGin | 6.9374 | 13.7151 | BLAminus | -130.67, 179.05 | 59.17, 87.64 | -94.83, 20.23 | 280.89, 81.14 | -65.73, -20.9 | in-in | in | 8.572 | Saltbr-in | 2.6523 | HRD-in | -69.53, -45.4 | 65.78, 13.52 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9368 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.24, 160.98 | APE9-dihe-na | 76.37, 138.38 | APE8-dihe-in | -58.5, 130.27 | APE8-rot-in | 301.13 | APE67-dihe-in | -61.75, -23.96 | -37.58, -52.92 | APE12-dist-in | 13.4348 | APE11-dist-in | 11.6806 | APE10-dist-in | 6.9749 | APE9-dist-in | 3.1929 | None | PTR216 | PTR216 | XRAY | 1.98 | 0.179 | 0.216 | A | 367.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4afj | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 | 4AFJB | P49841 | 34 | 384 | 420.0 | SJJ:1392 | Type1 | Active | DFGin | 6.9478 | 14.0458 | BLAminus | -131.53, 179.02 | 57.76, 85.75 | -93.28, 22.08 | 280.88, 83.41 | -64.33, -20.8 | in-in | in | 8.5255 | Saltbr-in | 2.7428 | HRD-in | -67.39, -46.66 | 68.06, 10.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8765 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.99, 165.35 | APE9-dihe-na | 75.2, 154.5 | APE8-dihe-in | -78.53, 128.88 | APE8-rot-in | 295.4 | APE67-dihe-in | -61.46, -24.46 | -31.5, -55.04 | APE12-dist-in | 13.4761 | APE11-dist-in | 11.5819 | APE10-dist-in | 6.9584 | APE9-dist-in | 3.1461 | None | PTR216 | PTR216 | XRAY | 1.98 | 0.179 | 0.216 | B | 367.0 | 347.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 4afj | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.1e-70 | 243.5 | 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 |
|---|