| 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 | CDK5 | CDK5_HUMAN | 3O0GA | Q00535 | 1 | 289 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.8294 | 15.2178 | BLAminus | -136.42, 175.77 | 61.32, 76.52 | -94.77, 26.39 | 279.12, 71.78 | -74.78, -15.11 | in-in | in | 8.7244 | Saltbr-in | 2.5526 | HRD-in | -79.72, -52.16 | 68.31, 13.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9154 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.07, 157.29 | APE9-dihe-na | 70.83, 127.92 | APE8-dihe-in | -52.36, 134.76 | APE8-rot-in | 293.6 | APE67-dihe-in | -63.53, -19.46 | -44.63, -48.78 | APE12-dist-in | 13.4692 | APE11-dist-in | 10.7286 | APE10-dist-in | 6.966 | APE9-dist-in | 3.2718 | D144N | None | None | XRAY | 1.95 | 0.228 | 0.256 | A | 292.0 | 289.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 3o0g | CMGC_CDK5_HUMAN | CMGC | 8e-83 | 284.6 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase 5 |
| CMGC | CDK5 | CDK5_HUMAN | 3O0GB | Q00535 | 6 | 288 | 292.0 | 3O0:293 | Type1 | Active | DFGin | 6.923 | 14.7947 | BLAminus | -129.48, 175.97 | 62.66, 84.26 | -100.98, 30.43 | 284.37, 72.05 | -63.02, -27.78 | in-in | in | 8.8214 | Saltbr-in | 2.7631 | HRD-in | -83.72, -54.01 | 67.99, 17.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8557 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.49, 157.23 | APE9-dihe-na | 72.19, 128.42 | APE8-dihe-in | -53.83, 140.52 | APE8-rot-in | 308.29 | APE67-dihe-in | -61.77, -21.68 | -45.86, -49.86 | APE12-dist-in | 12.7273 | APE11-dist-in | 9.9091 | APE10-dist-in | 6.3251 | APE9-dist-in | 3.248 | D144N | None | None | XRAY | 1.95 | 0.228 | 0.256 | B | 292.0 | 264.0 | 21 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 3o0g | CMGC_CDK5_HUMAN | CMGC | 8e-83 | 284.6 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase 5 |
| 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 | CDK5 | CDK5_HUMAN | 3O0GA | Q00535 | 1 | 289 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.8294 | 15.2178 | BLAminus | -136.42, 175.77 | 61.32, 76.52 | -94.77, 26.39 | 279.12, 71.78 | -74.78, -15.11 | in-in | in | 8.7244 | Saltbr-in | 2.5526 | HRD-in | -79.72, -52.16 | 68.31, 13.14 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9154 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.07, 157.29 | APE9-dihe-na | 70.83, 127.92 | APE8-dihe-in | -52.36, 134.76 | APE8-rot-in | 293.6 | APE67-dihe-in | -63.53, -19.46 | -44.63, -48.78 | APE12-dist-in | 13.4692 | APE11-dist-in | 10.7286 | APE10-dist-in | 6.966 | APE9-dist-in | 3.2718 | D144N | None | None | XRAY | 1.95 | 0.228 | 0.256 | A | 292.0 | 289.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 3o0g | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 8e-83 | 284.6 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase 5 |
| CMGC | CDK5 | CDK5_HUMAN | 3O0GB | Q00535 | 6 | 288 | 292.0 | 3O0:293 | Type1 | Active | DFGin | 6.923 | 14.7947 | BLAminus | -129.48, 175.97 | 62.66, 84.26 | -100.98, 30.43 | 284.37, 72.05 | -63.02, -27.78 | in-in | in | 8.8214 | Saltbr-in | 2.7631 | HRD-in | -83.72, -54.01 | 67.99, 17.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8557 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.49, 157.23 | APE9-dihe-na | 72.19, 128.42 | APE8-dihe-in | -53.83, 140.52 | APE8-rot-in | 308.29 | APE67-dihe-in | -61.77, -21.68 | -45.86, -49.86 | APE12-dist-in | 12.7273 | APE11-dist-in | 9.9091 | APE10-dist-in | 6.3251 | APE9-dist-in | 3.248 | D144N | None | None | XRAY | 1.95 | 0.228 | 0.256 | B | 292.0 | 264.0 | 21 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 3o0g | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 8e-83 | 284.6 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase 5 |
| 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 |
|---|