| 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 | 1R0EA | P49841 | 35 | 383 | 420.0 | DFN:702 | Type1 | Active | DFGin | 7.2106 | 13.9782 | BLAminus | -134.01, -179.44 | 58.42, 85.11 | -96.64, 20.85 | 278.46, 77.75 | -63.57, -17.65 | in-in | in | 8.3722 | Saltbr-in | 2.7157 | HRD-in | -68.9, -46.99 | 73.89, 15.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8169 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -98.99, 167.9 | APE9-dihe-na | 82.35, 148.07 | APE8-dihe-in | -104.61, 148.9 | APE8-rot-in | 290.93 | APE67-dihe-inflip | 91.63, -34.6 | -37.68, 131.22 | APE12-dist-in | 13.0977 | APE11-dist-in | 11.0936 | APE10-dist-in | 6.2403 | APE9-dist-in | 3.3951 | None | None | None | XRAY | 2.25 | 0.225 | 0.252 | A | 391.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1r0e | CMGC_GSK3B_HUMAN | CMGC | 2.6e-70 | 243.2 | 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 | 1R0EB | P49841 | 35 | 383 | 420.0 | DFN:501 | Type1 | Active | DFGin | 7.2465 | 14.1047 | BLAminus | -133.07, -177.02 | 55.1, 85.48 | -97.08, 20.86 | 276.04, 78.13 | -65.93, -17.26 | in-in | in | 8.4454 | Saltbr-in | 2.9103 | HRD-in | -68.16, -44.28 | 70.07, 10.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8839 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -98.79, 168.13 | APE9-dihe-na | 84.81, 147.78 | APE8-dihe-in | -104.27, 148.93 | APE8-rot-in | 288.7 | APE67-dihe-inflip | 91.14, -35.24 | -35.52, 130.18 | APE12-dist-in | 13.0787 | APE11-dist-in | 11.0114 | APE10-dist-in | 6.1772 | APE9-dist-in | 3.3688 | None | None | None | XRAY | 2.25 | 0.225 | 0.252 | B | 391.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1r0e | CMGC_GSK3B_HUMAN | CMGC | 2.6e-70 | 243.2 | 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 | 1R0EA | P49841 | 35 | 383 | 420.0 | DFN:702 | Type1 | Active | DFGin | 7.2106 | 13.9782 | BLAminus | -134.01, -179.44 | 58.42, 85.11 | -96.64, 20.85 | 278.46, 77.75 | -63.57, -17.65 | in-in | in | 8.3722 | Saltbr-in | 2.7157 | HRD-in | -68.9, -46.99 | 73.89, 15.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8169 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -98.99, 167.9 | APE9-dihe-na | 82.35, 148.07 | APE8-dihe-in | -104.61, 148.9 | APE8-rot-in | 290.93 | APE67-dihe-inflip | 91.63, -34.6 | -37.68, 131.22 | APE12-dist-in | 13.0977 | APE11-dist-in | 11.0936 | APE10-dist-in | 6.2403 | APE9-dist-in | 3.3951 | None | None | None | XRAY | 2.25 | 0.225 | 0.252 | A | 391.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1r0e | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.6e-70 | 243.2 | 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 | 1R0EB | P49841 | 35 | 383 | 420.0 | DFN:501 | Type1 | Active | DFGin | 7.2465 | 14.1047 | BLAminus | -133.07, -177.02 | 55.1, 85.48 | -97.08, 20.86 | 276.04, 78.13 | -65.93, -17.26 | in-in | in | 8.4454 | Saltbr-in | 2.9103 | HRD-in | -68.16, -44.28 | 70.07, 10.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8839 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -98.79, 168.13 | APE9-dihe-na | 84.81, 147.78 | APE8-dihe-in | -104.27, 148.93 | APE8-rot-in | 288.7 | APE67-dihe-inflip | 91.14, -35.24 | -35.52, 130.18 | APE12-dist-in | 13.0787 | APE11-dist-in | 11.0114 | APE10-dist-in | 6.1772 | APE9-dist-in | 3.3688 | None | None | None | XRAY | 2.25 | 0.225 | 0.252 | B | 391.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1r0e | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 2.6e-70 | 243.2 | 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 |
|---|