| 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 | 9HULA | P49841 | 25 | 385 | 420.0 | A1IXM:501 | Type1 | Active | DFGin | 7.0701 | 13.9429 | BLAminus | -137.8, -179.92 | 58.93, 93.22 | -109.33, 21.24 | 284.01, 77.28 | -66.77, -7.95 | in-in | in | 8.3439 | Saltbr-in | 2.9227 | HRD-in | -67.44, -42.84 | 67.99, 12.1 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1667 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.24, 178.29 | APE9-dihe-na | 68.13, 143.96 | APE8-dihe-in | -84.08, 162.04 | APE8-rot-in | 308.02 | APE67-dihe-inflip | 75.91, -35.84 | -57.58, 161.58 | APE12-dist-in | 13.0659 | APE11-dist-in | 11.0236 | APE10-dist-in | 5.9969 | APE9-dist-in | 3.1634 | None | None | None | XRAY | 2.9 | 0.218 | 0.244 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9hul | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9HULB | P49841 | 26 | 383 | 420.0 | A1IXM:501 | Type1 | Active | DFGin | 7.2175 | 13.8998 | BLAminus | -141.92, -177.61 | 60.57, 66.5 | -86.27, 21.98 | 288.8, 69.64 | -66.75, -12.19 | in-in | in | 8.2676 | Saltbr-in | 2.7477 | HRD-in | -68.36, -43.53 | 65.84, 14.02 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0185 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.86, 177.51 | APE9-dihe-na | 70.81, 136.76 | APE8-dihe-in | -79.57, 164.11 | APE8-rot-in | 306.92 | APE67-dihe-inflip | 69.45, -30.71 | -58.24, 165.67 | APE12-dist-in | 13.0545 | APE11-dist-in | 10.9752 | APE10-dist-in | 6.0547 | APE9-dist-in | 3.14 | None | None | None | XRAY | 2.9 | 0.218 | 0.244 | B | 442.0 | 358.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9hul | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9HULA | P49841 | 25 | 385 | 420.0 | A1IXM:501 | Type1 | Active | DFGin | 7.0701 | 13.9429 | BLAminus | -137.8, -179.92 | 58.93, 93.22 | -109.33, 21.24 | 284.01, 77.28 | -66.77, -7.95 | in-in | in | 8.3439 | Saltbr-in | 2.9227 | HRD-in | -67.44, -42.84 | 67.99, 12.1 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1667 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.24, 178.29 | APE9-dihe-na | 68.13, 143.96 | APE8-dihe-in | -84.08, 162.04 | APE8-rot-in | 308.02 | APE67-dihe-inflip | 75.91, -35.84 | -57.58, 161.58 | APE12-dist-in | 13.0659 | APE11-dist-in | 11.0236 | APE10-dist-in | 5.9969 | APE9-dist-in | 3.1634 | None | None | None | XRAY | 2.9 | 0.218 | 0.244 | A | 442.0 | 361.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9hul | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 | 9HULB | P49841 | 26 | 383 | 420.0 | A1IXM:501 | Type1 | Active | DFGin | 7.2175 | 13.8998 | BLAminus | -141.92, -177.61 | 60.57, 66.5 | -86.27, 21.98 | 288.8, 69.64 | -66.75, -12.19 | in-in | in | 8.2676 | Saltbr-in | 2.7477 | HRD-in | -68.36, -43.53 | 65.84, 14.02 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0185 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -89.86, 177.51 | APE9-dihe-na | 70.81, 136.76 | APE8-dihe-in | -79.57, 164.11 | APE8-rot-in | 306.92 | APE67-dihe-inflip | 69.45, -30.71 | -58.24, 165.67 | APE12-dist-in | 13.0545 | APE11-dist-in | 10.9752 | APE10-dist-in | 6.0547 | APE9-dist-in | 3.14 | None | None | None | XRAY | 2.9 | 0.218 | 0.244 | B | 442.0 | 358.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 9hul | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.8e-70 | 242.6 | 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 |
|---|