| 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 | 5T31A | P49841 | 35 | 381 | 420.0 | 6VL:501 | Type1 | Active | DFGin | 7.0002 | 14.6002 | BLAminus | -146.5, -178.72 | 58.09, 85.8 | -94.81, 34.39 | 283.96, 70.89 | -72.9, -29.06 | in-in | in | 8.1833 | Saltbr-in | 2.8228 | HRD-in | -85.27, -37.65 | 59.13, 22.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9632 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.45, 179.68 | APE9-dihe-na | 63.71, 158.01 | APE8-dihe-in | -85.57, 141.47 | APE8-rot-in | 304.73 | APE67-dihe-in | -68.11, -24.88 | -45.34, -45.1 | APE12-dist-in | 13.218 | APE11-dist-in | 11.5452 | APE10-dist-in | 6.5643 | APE9-dist-in | 3.195 | D133E | PTR216 | PTR216 | XRAY | 2.85 | 0.2 | 0.268 | A | 420.0 | 335.0 | 12 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5t31 | CMGC_GSK3B_HUMAN | CMGC | 1.2e-70 | 244.2 | 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 | 5T31B | P49841 | 36 | 382 | 420.0 | 6VL:501 | Type1 | Active | DFGin | 7.2086 | 14.6047 | BLAminus | -147.12, 178.9 | 61.54, 81.68 | -96.09, 32.98 | 286.61, 73.16 | -76.82, -18.6 | in-in | in | 8.229 | Saltbr-in | 2.5809 | HRD-in | -64.89, -47.6 | 63.02, 19.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0176 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.39, 179.54 | APE9-dihe-na | 63.77, 153.96 | APE8-dihe-in | -75.26, 136.0 | APE8-rot-in | 291.41 | APE67-dihe-in | -61.67, -31.85 | -41.28, -53.13 | APE12-dist-in | 13.3814 | APE11-dist-in | 11.678 | APE10-dist-in | 6.473 | APE9-dist-in | 3.2366 | D133E | PTR216 | PTR216 | XRAY | 2.85 | 0.2 | 0.268 | B | 420.0 | 334.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5t31 | CMGC_GSK3B_HUMAN | CMGC | 1.2e-70 | 244.2 | 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 | 5T31A | P49841 | 35 | 381 | 420.0 | 6VL:501 | Type1 | Active | DFGin | 7.0002 | 14.6002 | BLAminus | -146.5, -178.72 | 58.09, 85.8 | -94.81, 34.39 | 283.96, 70.89 | -72.9, -29.06 | in-in | in | 8.1833 | Saltbr-in | 2.8228 | HRD-in | -85.27, -37.65 | 59.13, 22.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9632 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -146.45, 179.68 | APE9-dihe-na | 63.71, 158.01 | APE8-dihe-in | -85.57, 141.47 | APE8-rot-in | 304.73 | APE67-dihe-in | -68.11, -24.88 | -45.34, -45.1 | APE12-dist-in | 13.218 | APE11-dist-in | 11.5452 | APE10-dist-in | 6.5643 | APE9-dist-in | 3.195 | D133E | PTR216 | PTR216 | XRAY | 2.85 | 0.2 | 0.268 | A | 420.0 | 335.0 | 12 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5t31 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.2e-70 | 244.2 | 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 | 5T31B | P49841 | 36 | 382 | 420.0 | 6VL:501 | Type1 | Active | DFGin | 7.2086 | 14.6047 | BLAminus | -147.12, 178.9 | 61.54, 81.68 | -96.09, 32.98 | 286.61, 73.16 | -76.82, -18.6 | in-in | in | 8.229 | Saltbr-in | 2.5809 | HRD-in | -64.89, -47.6 | 63.02, 19.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0176 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.39, 179.54 | APE9-dihe-na | 63.77, 153.96 | APE8-dihe-in | -75.26, 136.0 | APE8-rot-in | 291.41 | APE67-dihe-in | -61.67, -31.85 | -41.28, -53.13 | APE12-dist-in | 13.3814 | APE11-dist-in | 11.678 | APE10-dist-in | 6.473 | APE9-dist-in | 3.2366 | D133E | PTR216 | PTR216 | XRAY | 2.85 | 0.2 | 0.268 | B | 420.0 | 334.0 | 13 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 5t31 | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 1.2e-70 | 244.2 | 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 |
|---|