| 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 | 7OY5A | P49841 | 35 | 385 | 420.0 | 39I:401 | Type1 | Active | DFGin | 6.9265 | 14.0328 | BLAminus | -126.76, 175.34 | 72.52, 92.63 | -110.59, 33.29 | 286.05, 82.06 | -75.35, -28.56 | in-in | in | 8.6875 | Saltbr-in | 2.9358 | HRD-in | -72.48, -55.14 | 81.29, 7.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9168 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -78.43, 173.86 | APE9-dihe-na | 80.53, 146.3 | APE8-dihe-in | -94.81, 142.24 | APE8-rot-in | 295.61 | APE67-dihe-inflip | 101.01, -30.19 | -44.76, 139.01 | APE12-dist-in | 12.9243 | APE11-dist-in | 10.9605 | APE10-dist-in | 5.8925 | APE9-dist-in | 3.2763 | None | None | None | XRAY | 2.57 | 0.221 | 0.26 | A | 351.0 | 343.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7oy5 | 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 | 7OY5B | P49841 | 35 | 383 | 420.0 | 39I:401 | Type1 | Active | DFGin | 7.1149 | 14.145 | BLAminus | -131.55, -176.92 | 63.09, 57.6 | -70.26, 11.8 | 285.25, 87.17 | -66.04, -15.46 | in-in | in | 8.4954 | Saltbr-in | 3.0267 | HRD-in | -75.85, -49.73 | 71.52, 4.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0392 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.28, 172.83 | APE9-dihe-na | 79.24, 135.47 | APE8-dihe-in | -76.12, 154.7 | APE8-rot-in | 287.59 | APE67-dihe-inflip | 110.96, -34.61 | -67.01, 135.0 | APE12-dist-in | 13.0301 | APE11-dist-in | 10.9583 | APE10-dist-in | 5.9922 | APE9-dist-in | 3.0083 | None | None | None | XRAY | 2.57 | 0.221 | 0.26 | B | 351.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7oy5 | 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 | 7OY5A | P49841 | 35 | 385 | 420.0 | 39I:401 | Type1 | Active | DFGin | 6.9265 | 14.0328 | BLAminus | -126.76, 175.34 | 72.52, 92.63 | -110.59, 33.29 | 286.05, 82.06 | -75.35, -28.56 | in-in | in | 8.6875 | Saltbr-in | 2.9358 | HRD-in | -72.48, -55.14 | 81.29, 7.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9168 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -78.43, 173.86 | APE9-dihe-na | 80.53, 146.3 | APE8-dihe-in | -94.81, 142.24 | APE8-rot-in | 295.61 | APE67-dihe-inflip | 101.01, -30.19 | -44.76, 139.01 | APE12-dist-in | 12.9243 | APE11-dist-in | 10.9605 | APE10-dist-in | 5.8925 | APE9-dist-in | 3.2763 | None | None | None | XRAY | 2.57 | 0.221 | 0.26 | A | 351.0 | 343.0 | 8 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7oy5 | 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 | 7OY5B | P49841 | 35 | 383 | 420.0 | 39I:401 | Type1 | Active | DFGin | 7.1149 | 14.145 | BLAminus | -131.55, -176.92 | 63.09, 57.6 | -70.26, 11.8 | 285.25, 87.17 | -66.04, -15.46 | in-in | in | 8.4954 | Saltbr-in | 3.0267 | HRD-in | -75.85, -49.73 | 71.52, 4.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0392 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.28, 172.83 | APE9-dihe-na | 79.24, 135.47 | APE8-dihe-in | -76.12, 154.7 | APE8-rot-in | 287.59 | APE67-dihe-inflip | 110.96, -34.61 | -67.01, 135.0 | APE12-dist-in | 13.0301 | APE11-dist-in | 10.9583 | APE10-dist-in | 5.9922 | APE9-dist-in | 3.0083 | None | None | None | XRAY | 2.57 | 0.221 | 0.26 | B | 351.0 | 344.0 | 5 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 7oy5 | 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 |
|---|