| 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 | 3M1SA | P49841 | 35 | 385 | 420.0 | DW1:421 | Type1 | Inactive | DFGin | 7.021 | 13.7099 | BLAminus | -149.21, -179.05 | 55.83, 87.87 | -101.26, 23.04 | 292.92, 65.81 | -62.39, -0.11 | in-in | in | 8.7264 | Saltbr-in | 2.9756 | HRD-in | -71.98, -44.05 | 63.65, 18.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0324 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iiii | APE10-dihe-na | -100.39, 171.9 | APE9-dihe-na | 82.48, 144.37 | APE8-dihe-in | -94.3, 96.58 | APE8-rot-in | 285.71 | APE67-dihe-out | 116.42, -45.78 | 9.38, 103.41 | APE12-dist-in | 13.6493 | APE11-dist-in | 11.7091 | APE10-dist-in | 6.707 | APE9-dist-in | 3.4451 | None | None | None | XRAY | 3.134 | 0.171 | 0.228 | A | 420.0 | 348.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3m1s | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 | 3M1SB | P49841 | 35 | 384 | 420.0 | DW1:421 | Type1 | Active | DFGin | 7.1866 | 13.372 | BLAminus | -147.84, 174.37 | 70.86, 99.58 | -120.24, 19.87 | 286.56, 80.37 | -63.52, -14.18 | in-in | in | 8.5847 | Saltbr-in | 2.4408 | HRD-in | -69.47, -49.47 | 71.23, 28.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0905 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -106.87, 165.89 | APE9-dihe-na | 90.21, 134.65 | APE8-dihe-in | -74.2, 145.74 | APE8-rot-in | 300.21 | APE67-dihe-in | -72.41, -23.39 | -22.57, -69.43 | APE12-dist-in | 12.9441 | APE11-dist-in | 10.7117 | APE10-dist-in | 5.8988 | APE9-dist-in | 3.769 | None | None | None | XRAY | 3.134 | 0.171 | 0.228 | B | 420.0 | 349.0 | 1 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3m1s | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 | 3M1SA | P49841 | 35 | 385 | 420.0 | DW1:421 | Type1 | Inactive | DFGin | 7.021 | 13.7099 | BLAminus | -149.21, -179.05 | 55.83, 87.87 | -101.26, 23.04 | 292.92, 65.81 | -62.39, -0.11 | in-in | in | 8.7264 | Saltbr-in | 2.9756 | HRD-in | -71.98, -44.05 | 63.65, 18.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0324 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iiii | APE10-dihe-na | -100.39, 171.9 | APE9-dihe-na | 82.48, 144.37 | APE8-dihe-in | -94.3, 96.58 | APE8-rot-in | 285.71 | APE67-dihe-out | 116.42, -45.78 | 9.38, 103.41 | APE12-dist-in | 13.6493 | APE11-dist-in | 11.7091 | APE10-dist-in | 6.707 | APE9-dist-in | 3.4451 | None | None | None | XRAY | 3.134 | 0.171 | 0.228 | A | 420.0 | 348.0 | 3 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3m1s | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 | 3M1SB | P49841 | 35 | 384 | 420.0 | DW1:421 | Type1 | Active | DFGin | 7.1866 | 13.372 | BLAminus | -147.84, 174.37 | 70.86, 99.58 | -120.24, 19.87 | 286.56, 80.37 | -63.52, -14.18 | in-in | in | 8.5847 | Saltbr-in | 2.4408 | HRD-in | -69.47, -49.47 | 71.23, 28.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0905 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -106.87, 165.89 | APE9-dihe-na | 90.21, 134.65 | APE8-dihe-in | -74.2, 145.74 | APE8-rot-in | 300.21 | APE67-dihe-in | -72.41, -23.39 | -22.57, -69.43 | APE12-dist-in | 12.9441 | APE11-dist-in | 10.7117 | APE10-dist-in | 5.8988 | APE9-dist-in | 3.769 | None | None | None | XRAY | 3.134 | 0.171 | 0.228 | B | 420.0 | 349.0 | 1 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 3m1s | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.2e-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 |
|---|