| 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 | 1H4LA | Q00535 | 2 | 287 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.6202 | 15.4792 | BLAminus | -143.56, 176.2 | 53.14, 75.93 | -87.23, 17.57 | 281.42, 66.7 | -52.55, -28.59 | in-in | in | 8.8095 | Saltbr-in | 3.2322 | HRD-in | -81.11, -48.22 | 60.62, 20.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0091 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.33, 150.77 | APE9-dihe-na | 67.7, 126.9 | APE8-dihe-in | -54.75, 150.37 | APE8-rot-in | 308.87 | APE67-dihe-in | -61.52, -7.78 | -40.44, -61.3 | APE12-dist-in | 12.9199 | APE11-dist-in | 9.7497 | APE10-dist-in | 6.6944 | APE9-dist-in | 3.2531 | None | None | None | XRAY | 2.65 | 0.236 | 0.287 | A | 292.0 | 278.0 | 8 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h4l | CMGC_CDK5_HUMAN | CMGC | 7.3e-84 | 288.0 | 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 | 1H4LB | Q00535 | 2 | 287 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.6592 | 15.4399 | BLAminus | -143.33, -179.13 | 52.72, 73.32 | -87.36, 23.9 | 283.69, 63.17 | -58.01, -24.27 | in-in | in | 8.934 | Saltbr-in | 3.125 | HRD-in | -84.82, -44.08 | 59.2, 10.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.013 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.96, 143.89 | APE9-dihe-na | 72.68, 133.7 | APE8-dihe-in | -61.48, 143.63 | APE8-rot-in | 309.63 | APE67-dihe-in | -61.01, -6.73 | -35.26, -57.65 | APE12-dist-in | 12.7648 | APE11-dist-in | 9.5823 | APE10-dist-in | 6.522 | APE9-dist-in | 3.1447 | None | None | None | XRAY | 2.65 | 0.236 | 0.287 | B | 292.0 | 278.0 | 8 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h4l | CMGC_CDK5_HUMAN | CMGC | 7.3e-84 | 288.0 | 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 | 1H4LA | Q00535 | 2 | 287 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.6202 | 15.4792 | BLAminus | -143.56, 176.2 | 53.14, 75.93 | -87.23, 17.57 | 281.42, 66.7 | -52.55, -28.59 | in-in | in | 8.8095 | Saltbr-in | 3.2322 | HRD-in | -81.11, -48.22 | 60.62, 20.26 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0091 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.33, 150.77 | APE9-dihe-na | 67.7, 126.9 | APE8-dihe-in | -54.75, 150.37 | APE8-rot-in | 308.87 | APE67-dihe-in | -61.52, -7.78 | -40.44, -61.3 | APE12-dist-in | 12.9199 | APE11-dist-in | 9.7497 | APE10-dist-in | 6.6944 | APE9-dist-in | 3.2531 | None | None | None | XRAY | 2.65 | 0.236 | 0.287 | A | 292.0 | 278.0 | 8 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h4l | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 7.3e-84 | 288.0 | 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 | 1H4LB | Q00535 | 2 | 287 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.6592 | 15.4399 | BLAminus | -143.33, -179.13 | 52.72, 73.32 | -87.36, 23.9 | 283.69, 63.17 | -58.01, -24.27 | in-in | in | 8.934 | Saltbr-in | 3.125 | HRD-in | -84.82, -44.08 | 59.2, 10.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.013 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.96, 143.89 | APE9-dihe-na | 72.68, 133.7 | APE8-dihe-in | -61.48, 143.63 | APE8-rot-in | 309.63 | APE67-dihe-in | -61.01, -6.73 | -35.26, -57.65 | APE12-dist-in | 12.7648 | APE11-dist-in | 9.5823 | APE10-dist-in | 6.522 | APE9-dist-in | 3.1447 | None | None | None | XRAY | 2.65 | 0.236 | 0.287 | B | 292.0 | 278.0 | 8 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h4l | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 7.3e-84 | 288.0 | 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 |
|---|