| 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 | 1J1BA | P49841 | 35 | 388 | 420.0 | ANP:60430 | ATPlike | Active | DFGin | 6.7667 | 13.7876 | BLAminus | -136.8, -178.88 | 61.6, 83.12 | -97.64, 25.1 | 286.09, 80.4 | -68.7, -13.11 | in-in | in | 8.5659 | Saltbr-in | 2.59 | HRD-in | -71.16, -45.98 | 70.36, 3.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0085 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -88.52, 175.26 | APE9-dihe-na | 75.44, 133.64 | APE8-dihe-in | -75.76, 147.49 | APE8-rot-in | 306.57 | APE67-dihe-inflip | 98.15, -33.72 | -56.43, 141.52 | APE12-dist-in | 13.0562 | APE11-dist-in | 10.9736 | APE10-dist-in | 5.8926 | APE9-dist-in | 3.1122 | None | None | None | XRAY | 1.8 | 0.216 | 0.242 | A | 420.0 | 354.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1j1b | 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 | 1J1BB | P49841 | 23 | 386 | 420.0 | ANP:60930 | ATPlike | Active | DFGin | 6.6091 | 13.6686 | BLAminus | -136.4, -177.03 | 61.49, 81.88 | -98.08, 27.2 | 288.49, 82.07 | -71.33, -13.14 | in-in | in | 8.4573 | Saltbr-in | 2.713 | HRD-in | -67.51, -45.87 | 68.87, 6.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9624 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -90.88, 174.17 | APE9-dihe-na | 76.18, 138.08 | APE8-dihe-in | -76.12, 141.41 | APE8-rot-in | 301.11 | APE67-dihe-inflip | 98.0, -37.59 | -54.78, 144.25 | APE12-dist-in | 12.9784 | APE11-dist-in | 11.0659 | APE10-dist-in | 6.0113 | APE9-dist-in | 3.1744 | None | None | None | XRAY | 1.8 | 0.216 | 0.242 | B | 420.0 | 364.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1j1b | 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 | 1J1BA | P49841 | 35 | 388 | 420.0 | ANP:60430 | ATPlike | Active | DFGin | 6.7667 | 13.7876 | BLAminus | -136.8, -178.88 | 61.6, 83.12 | -97.64, 25.1 | 286.09, 80.4 | -68.7, -13.11 | in-in | in | 8.5659 | Saltbr-in | 2.59 | HRD-in | -71.16, -45.98 | 70.36, 3.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0085 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -88.52, 175.26 | APE9-dihe-na | 75.44, 133.64 | APE8-dihe-in | -75.76, 147.49 | APE8-rot-in | 306.57 | APE67-dihe-inflip | 98.15, -33.72 | -56.43, 141.52 | APE12-dist-in | 13.0562 | APE11-dist-in | 10.9736 | APE10-dist-in | 5.8926 | APE9-dist-in | 3.1122 | None | None | None | XRAY | 1.8 | 0.216 | 0.242 | A | 420.0 | 354.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1j1b | 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 | 1J1BB | P49841 | 23 | 386 | 420.0 | ANP:60930 | ATPlike | Active | DFGin | 6.6091 | 13.6686 | BLAminus | -136.4, -177.03 | 61.49, 81.88 | -98.08, 27.2 | 288.49, 82.07 | -71.33, -13.14 | in-in | in | 8.4573 | Saltbr-in | 2.713 | HRD-in | -67.51, -45.87 | 68.87, 6.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9624 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -90.88, 174.17 | APE9-dihe-na | 76.18, 138.08 | APE8-dihe-in | -76.12, 141.41 | APE8-rot-in | 301.11 | APE67-dihe-inflip | 98.0, -37.59 | -54.78, 144.25 | APE12-dist-in | 12.9784 | APE11-dist-in | 11.0659 | APE10-dist-in | 6.0113 | APE9-dist-in | 3.1744 | None | None | None | XRAY | 1.8 | 0.216 | 0.242 | B | 420.0 | 364.0 | 0 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1j1b | 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 |
|---|