| 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 | 7U36A | P49841 | 36 | 385 | 420.0 | L7W:402 | Type1 | Active | DFGin | 7.0548 | 14.0575 | BLAminus | -140.39, -178.87 | 60.34, 89.59 | -105.19, 18.12 | 284.52, 86.52 | -57.6, -32.5 | in-in | in | 8.4531 | Saltbr-in | 3.0188 | HRD-in | -77.18, -47.14 | 70.51, 17.98 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9592 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.43, -45.81 | APE9-dihe-na | -84.57, 153.41 | APE8-dihe-in | -68.83, 161.86 | APE8-rot-in | 280.03 | APE67-dihe-in | -82.26, -16.89 | -53.14, -56.37 | APE12-dist-in | 12.8704 | APE11-dist-in | 10.7585 | APE10-dist-in | 5.8125 | APE9-dist-in | 3.1894 | None | None | None | XRAY | 2.75 | 0.24 | 0.275 | A | 351.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u36 | 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 | 7U36B | P49841 | 37 | 382 | 420.0 | L7W:402 | Type1 | Active | DFGin | 7.0561 | 14.0712 | BLAminus | -141.26, -179.45 | 60.58, 88.51 | -105.71, 18.11 | 283.81, 87.44 | -57.54, -31.03 | in-in | in | 8.4984 | Saltbr-in | 2.9906 | HRD-in | -77.32, -47.05 | 68.98, 19.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.963 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -102.55, 163.3 | APE9-dihe-na | 90.09, 132.18 | APE8-dihe-in | -72.41, 162.37 | APE8-rot-in | 279.62 | APE67-dihe-in | -81.75, -17.56 | -53.5, -56.42 | APE12-dist-in | 12.8558 | APE11-dist-in | 10.7783 | APE10-dist-in | 5.7902 | APE9-dist-in | 3.107 | None | None | None | XRAY | 2.75 | 0.24 | 0.275 | B | 351.0 | 346.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u36 | 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 | 7U36A | P49841 | 36 | 385 | 420.0 | L7W:402 | Type1 | Active | DFGin | 7.0548 | 14.0575 | BLAminus | -140.39, -178.87 | 60.34, 89.59 | -105.19, 18.12 | 284.52, 86.52 | -57.6, -32.5 | in-in | in | 8.4531 | Saltbr-in | 3.0188 | HRD-in | -77.18, -47.14 | 70.51, 17.98 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9592 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.43, -45.81 | APE9-dihe-na | -84.57, 153.41 | APE8-dihe-in | -68.83, 161.86 | APE8-rot-in | 280.03 | APE67-dihe-in | -82.26, -16.89 | -53.14, -56.37 | APE12-dist-in | 12.8704 | APE11-dist-in | 10.7585 | APE10-dist-in | 5.8125 | APE9-dist-in | 3.1894 | None | None | None | XRAY | 2.75 | 0.24 | 0.275 | A | 351.0 | 350.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u36 | 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 | 7U36B | P49841 | 37 | 382 | 420.0 | L7W:402 | Type1 | Active | DFGin | 7.0561 | 14.0712 | BLAminus | -141.26, -179.45 | 60.58, 88.51 | -105.71, 18.11 | 283.81, 87.44 | -57.54, -31.03 | in-in | in | 8.4984 | Saltbr-in | 2.9906 | HRD-in | -77.32, -47.05 | 68.98, 19.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.963 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -102.55, 163.3 | APE9-dihe-na | 90.09, 132.18 | APE8-dihe-in | -72.41, 162.37 | APE8-rot-in | 279.62 | APE67-dihe-in | -81.75, -17.56 | -53.5, -56.42 | APE12-dist-in | 12.8558 | APE11-dist-in | 10.7783 | APE10-dist-in | 5.7902 | APE9-dist-in | 3.107 | None | None | None | XRAY | 2.75 | 0.24 | 0.275 | B | 351.0 | 346.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7u36 | 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 |
|---|