| 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 | 1Q4LA | P49841 | 35 | 386 | 420.0 | 679:451 | Type1 | Active | DFGin | 6.9437 | 13.7544 | BLAminus | -138.39, -176.39 | 57.74, 86.06 | -99.56, 21.29 | 285.7, 72.79 | -65.03, -5.34 | in-in | in | 8.5237 | Saltbr-in | 3.0069 | HRD-in | -67.11, -46.06 | 68.04, 16.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.962 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -95.21, 168.86 | APE9-dihe-na | 81.69, 129.23 | APE8-dihe-in | -70.09, 146.41 | APE8-rot-in | 291.03 | APE67-dihe-inflip | 104.98, -29.32 | -58.42, 137.67 | APE12-dist-in | 13.1169 | APE11-dist-in | 11.3523 | APE10-dist-in | 6.3007 | APE9-dist-in | 3.3388 | None | None | None | XRAY | 2.77 | 0.212 | 0.251 | A | 424.0 | 342.0 | 10 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q4l | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 1Q4LB | P49841 | 35 | 383 | 420.0 | 679:452 | Type1 | Active | DFGin | 7.1687 | 13.6494 | BLAminus | -140.11, -177.14 | 58.72, 87.12 | -99.76, 20.01 | 285.14, 71.58 | -64.5, -5.39 | in-in | in | 8.3387 | Saltbr-in | 2.6728 | HRD-in | -67.89, -45.11 | 67.21, 17.1 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9961 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -93.61, 167.87 | APE9-dihe-na | 83.04, 132.56 | APE8-dihe-in | -74.69, 156.93 | APE8-rot-in | 311.31 | APE67-dihe-inflip | 93.39, -29.64 | -61.08, 141.61 | APE12-dist-in | 13.0983 | APE11-dist-in | 11.3225 | APE10-dist-in | 6.2525 | APE9-dist-in | 3.3488 | None | None | None | XRAY | 2.77 | 0.212 | 0.251 | B | 424.0 | 337.0 | 12 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q4l | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 1Q4LA | P49841 | 35 | 386 | 420.0 | 679:451 | Type1 | Active | DFGin | 6.9437 | 13.7544 | BLAminus | -138.39, -176.39 | 57.74, 86.06 | -99.56, 21.29 | 285.7, 72.79 | -65.03, -5.34 | in-in | in | 8.5237 | Saltbr-in | 3.0069 | HRD-in | -67.11, -46.06 | 68.04, 16.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.962 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -95.21, 168.86 | APE9-dihe-na | 81.69, 129.23 | APE8-dihe-in | -70.09, 146.41 | APE8-rot-in | 291.03 | APE67-dihe-inflip | 104.98, -29.32 | -58.42, 137.67 | APE12-dist-in | 13.1169 | APE11-dist-in | 11.3523 | APE10-dist-in | 6.3007 | APE9-dist-in | 3.3388 | None | None | None | XRAY | 2.77 | 0.212 | 0.251 | A | 424.0 | 342.0 | 10 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q4l | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 | 1Q4LB | P49841 | 35 | 383 | 420.0 | 679:452 | Type1 | Active | DFGin | 7.1687 | 13.6494 | BLAminus | -140.11, -177.14 | 58.72, 87.12 | -99.76, 20.01 | 285.14, 71.58 | -64.5, -5.39 | in-in | in | 8.3387 | Saltbr-in | 2.6728 | HRD-in | -67.89, -45.11 | 67.21, 17.1 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9961 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -93.61, 167.87 | APE9-dihe-na | 83.04, 132.56 | APE8-dihe-in | -74.69, 156.93 | APE8-rot-in | 311.31 | APE67-dihe-inflip | 93.39, -29.64 | -61.08, 141.61 | APE12-dist-in | 13.0983 | APE11-dist-in | 11.3225 | APE10-dist-in | 6.2525 | APE9-dist-in | 3.3488 | None | None | None | XRAY | 2.77 | 0.212 | 0.251 | B | 424.0 | 337.0 | 12 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 1q4l | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.3e-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 |
|---|