| 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 | 2JLDA | P49841 | 35 | 385 | 420.0 | AG1:1385 | Type1 | Active | DFGin | 7.2466 | 13.6191 | BLAminus | -128.74, 174.0 | 65.55, 89.02 | -101.06, 20.23 | 281.85, 78.64 | -66.01, -16.46 | in-in | in | 8.5348 | Saltbr-in | 2.9005 | HRD-in | -68.74, -48.89 | 74.29, 10.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8459 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -80.14, 165.31 | APE9-dihe-na | 82.65, 142.84 | APE8-dihe-in | -89.49, 145.54 | APE8-rot-in | 290.56 | APE67-dihe-inflip | 101.97, -33.31 | -39.01, 124.35 | APE12-dist-in | 13.012 | APE11-dist-in | 11.0047 | APE10-dist-in | 6.0583 | APE9-dist-in | 3.2394 | None | None | None | XRAY | 2.35 | 0.192 | 0.227 | A | 420.0 | 349.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2jld | 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 | 2JLDB | P49841 | 35 | 384 | 420.0 | AG1:1385 | Type1 | Active | DFGin | 7.1172 | 13.6811 | BLAminus | -134.8, 174.83 | 62.6, 85.31 | -97.62, 21.89 | 284.88, 76.87 | -65.09, -17.38 | in-in | in | 8.458 | Saltbr-in | 2.7255 | HRD-in | -67.92, -46.43 | 70.86, 13.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9206 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -91.11, 167.47 | APE9-dihe-na | 84.04, 143.71 | APE8-dihe-in | -89.79, 148.89 | APE8-rot-in | 294.08 | APE67-dihe-inflip | 95.31, -31.23 | -37.35, 123.61 | APE12-dist-in | 13.0443 | APE11-dist-in | 10.9507 | APE10-dist-in | 5.9948 | APE9-dist-in | 3.2028 | None | None | None | XRAY | 2.35 | 0.192 | 0.227 | B | 420.0 | 349.0 | 1 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2jld | 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 | 2JLDA | P49841 | 35 | 385 | 420.0 | AG1:1385 | Type1 | Active | DFGin | 7.2466 | 13.6191 | BLAminus | -128.74, 174.0 | 65.55, 89.02 | -101.06, 20.23 | 281.85, 78.64 | -66.01, -16.46 | in-in | in | 8.5348 | Saltbr-in | 2.9005 | HRD-in | -68.74, -48.89 | 74.29, 10.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8459 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -80.14, 165.31 | APE9-dihe-na | 82.65, 142.84 | APE8-dihe-in | -89.49, 145.54 | APE8-rot-in | 290.56 | APE67-dihe-inflip | 101.97, -33.31 | -39.01, 124.35 | APE12-dist-in | 13.012 | APE11-dist-in | 11.0047 | APE10-dist-in | 6.0583 | APE9-dist-in | 3.2394 | None | None | None | XRAY | 2.35 | 0.192 | 0.227 | A | 420.0 | 349.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2jld | 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 | 2JLDB | P49841 | 35 | 384 | 420.0 | AG1:1385 | Type1 | Active | DFGin | 7.1172 | 13.6811 | BLAminus | -134.8, 174.83 | 62.6, 85.31 | -97.62, 21.89 | 284.88, 76.87 | -65.09, -17.38 | in-in | in | 8.458 | Saltbr-in | 2.7255 | HRD-in | -67.92, -46.43 | 70.86, 13.33 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9206 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -91.11, 167.47 | APE9-dihe-na | 84.04, 143.71 | APE8-dihe-in | -89.79, 148.89 | APE8-rot-in | 294.08 | APE67-dihe-inflip | 95.31, -31.23 | -37.35, 123.61 | APE12-dist-in | 13.0443 | APE11-dist-in | 10.9507 | APE10-dist-in | 5.9948 | APE9-dist-in | 3.2028 | None | None | None | XRAY | 2.35 | 0.192 | 0.227 | B | 420.0 | 349.0 | 1 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 2jld | 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 |
|---|