| 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 | 1PYXA | P49841 | 35 | 386 | 420.0 | ANP:1001 | ATPlike | Active | DFGin | 6.5838 | 13.6216 | BLAminus | -138.81, -178.07 | 65.18, 79.92 | -98.83, 26.07 | 289.95, 78.27 | -73.24, -7.6 | in-in | in | 8.3727 | Saltbr-in | 2.7648 | HRD-in | -67.79, -47.84 | 71.28, 6.53 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9483 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.12, 170.17 | APE9-dihe-na | 80.64, 129.74 | APE8-dihe-in | -63.79, 140.05 | APE8-rot-in | 299.48 | APE67-dihe-in | -56.43, -21.61 | -20.65, -80.28 | APE12-dist-in | 12.9032 | APE11-dist-in | 10.9366 | APE10-dist-in | 5.7841 | APE9-dist-in | 3.1495 | None | None | None | XRAY | 2.4 | 0.206 | 0.233 | A | 422.0 | 343.0 | 9 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1pyx | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 1PYXB | P49841 | 35 | 383 | 420.0 | ANP:2001 | ATPlike | Active | DFGin | 6.5927 | 13.7178 | BLAminus | -140.94, -178.47 | 65.26, 79.98 | -98.11, 22.32 | 290.75, 76.51 | -68.32, -7.73 | in-in | in | 8.4877 | Saltbr-in | 2.6657 | HRD-in | -69.98, -47.18 | 70.83, 5.6 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9383 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.3, 169.41 | APE9-dihe-na | 81.27, 131.24 | APE8-dihe-in | -66.67, 140.79 | APE8-rot-in | 300.74 | APE67-dihe-in | -56.9, -22.2 | -20.58, -79.9 | APE12-dist-in | 12.8382 | APE11-dist-in | 10.8615 | APE10-dist-in | 5.7183 | APE9-dist-in | 3.132 | None | None | None | XRAY | 2.4 | 0.206 | 0.233 | B | 422.0 | 338.0 | 11 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1pyx | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 1PYXA | P49841 | 35 | 386 | 420.0 | ANP:1001 | ATPlike | Active | DFGin | 6.5838 | 13.6216 | BLAminus | -138.81, -178.07 | 65.18, 79.92 | -98.83, 26.07 | 289.95, 78.27 | -73.24, -7.6 | in-in | in | 8.3727 | Saltbr-in | 2.7648 | HRD-in | -67.79, -47.84 | 71.28, 6.53 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9483 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -86.12, 170.17 | APE9-dihe-na | 80.64, 129.74 | APE8-dihe-in | -63.79, 140.05 | APE8-rot-in | 299.48 | APE67-dihe-in | -56.43, -21.61 | -20.65, -80.28 | APE12-dist-in | 12.9032 | APE11-dist-in | 10.9366 | APE10-dist-in | 5.7841 | APE9-dist-in | 3.1495 | None | None | None | XRAY | 2.4 | 0.206 | 0.233 | A | 422.0 | 343.0 | 9 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1pyx | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 | 1PYXB | P49841 | 35 | 383 | 420.0 | ANP:2001 | ATPlike | Active | DFGin | 6.5927 | 13.7178 | BLAminus | -140.94, -178.47 | 65.26, 79.98 | -98.11, 22.32 | 290.75, 76.51 | -68.32, -7.73 | in-in | in | 8.4877 | Saltbr-in | 2.6657 | HRD-in | -69.98, -47.18 | 70.83, 5.6 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9383 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.3, 169.41 | APE9-dihe-na | 81.27, 131.24 | APE8-dihe-in | -66.67, 140.79 | APE8-rot-in | 300.74 | APE67-dihe-in | -56.9, -22.2 | -20.58, -79.9 | APE12-dist-in | 12.8382 | APE11-dist-in | 10.8615 | APE10-dist-in | 5.7183 | APE9-dist-in | 3.132 | None | None | None | XRAY | 2.4 | 0.206 | 0.233 | B | 422.0 | 338.0 | 11 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1pyx | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-70 | 242.8 | 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 |
|---|