| 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 | 2OW3A | P49841 | 35 | 385 | 420.0 | BIM:387 | Type1 | Active | DFGin | 6.8544 | 14.0885 | BLAminus | -145.58, -177.16 | 62.63, 79.7 | -96.04, 38.01 | 299.18, 104.83 | -72.62, -36.62 | in-in | in | 8.3402 | Saltbr-in | 2.8377 | HRD-in | -75.79, -46.9 | 63.78, 27.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8813 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -159.84, 153.8 | APE9-dihe-na | 77.18, 154.82 | APE8-dihe-in | -72.33, 143.1 | APE8-rot-in | 299.46 | APE67-dihe-in | -64.33, -22.16 | -49.08, -49.27 | APE12-dist-in | 13.7242 | APE11-dist-in | 12.3631 | APE10-dist-in | 7.5149 | APE9-dist-in | 3.7839 | None | PTR216 | PTR216 | XRAY | 2.8 | 0.248 | 0.295 | A | 352.0 | 347.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2ow3 | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 2OW3B | P49841 | 35 | 386 | 420.0 | BIM:387 | Type1 | Active | DFGin | 6.7681 | 14.5197 | BLAminus | -140.91, -178.82 | 62.87, 80.36 | -94.83, 34.08 | 291.22, 81.94 | -79.34, -15.72 | in-in | in | 8.4802 | Saltbr-in | 2.7885 | HRD-in | -91.97, -42.45 | 64.4, 21.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8773 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -163.27, 157.33 | APE9-dihe-na | 81.52, 163.87 | APE8-dihe-in | -81.91, 157.75 | APE8-rot-in | 308.08 | APE67-dihe-in | -65.81, -19.16 | -55.34, -61.54 | APE12-dist-in | 13.9045 | APE11-dist-in | 12.5424 | APE10-dist-in | 7.6276 | APE9-dist-in | 3.5378 | None | PTR216 | PTR216 | XRAY | 2.8 | 0.248 | 0.295 | B | 352.0 | 352.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2ow3 | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 2OW3A | P49841 | 35 | 385 | 420.0 | BIM:387 | Type1 | Active | DFGin | 6.8544 | 14.0885 | BLAminus | -145.58, -177.16 | 62.63, 79.7 | -96.04, 38.01 | 299.18, 104.83 | -72.62, -36.62 | in-in | in | 8.3402 | Saltbr-in | 2.8377 | HRD-in | -75.79, -46.9 | 63.78, 27.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8813 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -159.84, 153.8 | APE9-dihe-na | 77.18, 154.82 | APE8-dihe-in | -72.33, 143.1 | APE8-rot-in | 299.46 | APE67-dihe-in | -64.33, -22.16 | -49.08, -49.27 | APE12-dist-in | 13.7242 | APE11-dist-in | 12.3631 | APE10-dist-in | 7.5149 | APE9-dist-in | 3.7839 | None | PTR216 | PTR216 | XRAY | 2.8 | 0.248 | 0.295 | A | 352.0 | 347.0 | 4 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2ow3 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 | 2OW3B | P49841 | 35 | 386 | 420.0 | BIM:387 | Type1 | Active | DFGin | 6.7681 | 14.5197 | BLAminus | -140.91, -178.82 | 62.87, 80.36 | -94.83, 34.08 | 291.22, 81.94 | -79.34, -15.72 | in-in | in | 8.4802 | Saltbr-in | 2.7885 | HRD-in | -91.97, -42.45 | 64.4, 21.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8773 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -163.27, 157.33 | APE9-dihe-na | 81.52, 163.87 | APE8-dihe-in | -81.91, 157.75 | APE8-rot-in | 308.08 | APE67-dihe-in | -65.81, -19.16 | -55.34, -61.54 | APE12-dist-in | 13.9045 | APE11-dist-in | 12.5424 | APE10-dist-in | 7.6276 | APE9-dist-in | 3.5378 | None | PTR216 | PTR216 | XRAY | 2.8 | 0.248 | 0.295 | B | 352.0 | 352.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2ow3 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.8e-70 | 243.7 | 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 |
|---|