| 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 | 1UNLB | Q00535 | 1 | 292 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.886 | 14.8508 | BLAminus | -135.82, 173.41 | 59.96, 81.07 | -98.2, 33.32 | 283.07, 69.38 | -75.63, -27.28 | in-in | in | 8.4516 | Saltbr-in | 3.158 | HRD-in | -77.91, -53.06 | 63.81, 22.82 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0044 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.88, 159.89 | APE9-dihe-na | 67.72, 132.78 | APE8-dihe-in | -56.55, 142.64 | APE8-rot-in | 295.52 | APE67-dihe-in | -68.05, -20.23 | -51.27, -43.49 | APE12-dist-in | 12.8777 | APE11-dist-in | 10.1756 | APE10-dist-in | 6.3904 | APE9-dist-in | 3.2178 | D144N | None | None | XRAY | 2.2 | 0.216 | 0.219 | B | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unl | 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 | 1UNLA | Q00535 | 1 | 292 | 292.0 | RRC:1293 | Type1 | Active | DFGin | 6.8293 | 15.2016 | BLAminus | -128.33, 173.21 | 66.87, 81.02 | -97.91, 23.56 | 283.17, 72.64 | -73.67, -20.59 | in-in | in | 8.3091 | Saltbr-in | 2.8471 | HRD-in | -82.56, -50.74 | 69.72, 10.97 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9193 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.08, 156.73 | APE9-dihe-na | 71.89, 126.73 | APE8-dihe-in | -48.26, 136.09 | APE8-rot-in | 296.72 | APE67-dihe-in | -59.67, -21.67 | -44.15, -47.77 | APE12-dist-in | 13.5586 | APE11-dist-in | 10.7803 | APE10-dist-in | 7.1047 | APE9-dist-in | 3.2635 | D144N | None | None | XRAY | 2.2 | 0.216 | 0.219 | A | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unl | 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 | 1UNLB | Q00535 | 1 | 292 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.886 | 14.8508 | BLAminus | -135.82, 173.41 | 59.96, 81.07 | -98.2, 33.32 | 283.07, 69.38 | -75.63, -27.28 | in-in | in | 8.4516 | Saltbr-in | 3.158 | HRD-in | -77.91, -53.06 | 63.81, 22.82 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0044 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.88, 159.89 | APE9-dihe-na | 67.72, 132.78 | APE8-dihe-in | -56.55, 142.64 | APE8-rot-in | 295.52 | APE67-dihe-in | -68.05, -20.23 | -51.27, -43.49 | APE12-dist-in | 12.8777 | APE11-dist-in | 10.1756 | APE10-dist-in | 6.3904 | APE9-dist-in | 3.2178 | D144N | None | None | XRAY | 2.2 | 0.216 | 0.219 | B | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unl | 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 | 1UNLA | Q00535 | 1 | 292 | 292.0 | RRC:1293 | Type1 | Active | DFGin | 6.8293 | 15.2016 | BLAminus | -128.33, 173.21 | 66.87, 81.02 | -97.91, 23.56 | 283.17, 72.64 | -73.67, -20.59 | in-in | in | 8.3091 | Saltbr-in | 2.8471 | HRD-in | -82.56, -50.74 | 69.72, 10.97 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9193 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.08, 156.73 | APE9-dihe-na | 71.89, 126.73 | APE8-dihe-in | -48.26, 136.09 | APE8-rot-in | 296.72 | APE67-dihe-in | -59.67, -21.67 | -44.15, -47.77 | APE12-dist-in | 13.5586 | APE11-dist-in | 10.7803 | APE10-dist-in | 7.1047 | APE9-dist-in | 3.2635 | D144N | None | None | XRAY | 2.2 | 0.216 | 0.219 | A | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unl | 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 |
|---|