| 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 | AF-Q00535-K1A | Q00535 | 1 | 292 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.8121 | 15.0795 | BLAminus | -137.71, 176.76 | 52.72, 65.61 | -76.52, 17.03 | 281.04, 72.01 | -63.52, -30.68 | in-in | in | 8.8174 | Saltbr-in | 2.7367 | HRD-in | -77.47, -45.4 | 62.19, 14.23 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8666 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.25, 162.61 | APE9-dihe-na | 62.11, 128.26 | APE8-dihe-in | -54.35, 135.75 | APE8-rot-in | 298.8 | APE67-dihe-in | -65.0, -24.32 | -44.79, -46.3 | APE12-dist-in | 13.2835 | APE11-dist-in | 10.4527 | APE10-dist-in | 6.8641 | APE9-dist-in | 3.2781 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q00535-K1 | CMGC_CDK5_HUMAN | CMGC | 4e-84 | 288.8 | 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 | AF-Q00535-K3A | Q00535 | 1 | 292 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.7214 | 14.9428 | BLAminus | -139.19, 173.54 | 59.01, 63.04 | -76.77, 15.26 | 281.96, 72.04 | -59.74, -32.22 | in-in | in | 8.9267 | Saltbr-in | 2.821 | HRD-in | -77.38, -51.01 | 62.6, 14.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8423 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.79, 159.19 | APE9-dihe-na | 60.88, 136.97 | APE8-dihe-in | -57.12, 135.78 | APE8-rot-in | 296.35 | APE67-dihe-in | -65.12, -22.17 | -41.34, -44.93 | APE12-dist-in | 13.0008 | APE11-dist-in | 10.5199 | APE10-dist-in | 6.701 | APE9-dist-in | 3.61 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q00535-K3 | CMGC_CDK5_HUMAN | CMGC | 4e-84 | 288.8 | 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 | AF-Q00535-K1A | Q00535 | 1 | 292 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.8121 | 15.0795 | BLAminus | -137.71, 176.76 | 52.72, 65.61 | -76.52, 17.03 | 281.04, 72.01 | -63.52, -30.68 | in-in | in | 8.8174 | Saltbr-in | 2.7367 | HRD-in | -77.47, -45.4 | 62.19, 14.23 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8666 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.25, 162.61 | APE9-dihe-na | 62.11, 128.26 | APE8-dihe-in | -54.35, 135.75 | APE8-rot-in | 298.8 | APE67-dihe-in | -65.0, -24.32 | -44.79, -46.3 | APE12-dist-in | 13.2835 | APE11-dist-in | 10.4527 | APE10-dist-in | 6.8641 | APE9-dist-in | 3.2781 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q00535-K1 | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 4e-84 | 288.8 | 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 | AF-Q00535-K3A | Q00535 | 1 | 292 | 292.0 | No_ligand | No_ligand | Active | DFGin | 6.7214 | 14.9428 | BLAminus | -139.19, 173.54 | 59.01, 63.04 | -76.77, 15.26 | 281.96, 72.04 | -59.74, -32.22 | in-in | in | 8.9267 | Saltbr-in | 2.821 | HRD-in | -77.38, -51.01 | 62.6, 14.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8423 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.79, 159.19 | APE9-dihe-na | 60.88, 136.97 | APE8-dihe-in | -57.12, 135.78 | APE8-rot-in | 296.35 | APE67-dihe-in | -65.12, -22.17 | -41.34, -44.93 | APE12-dist-in | 13.0008 | APE11-dist-in | 10.5199 | APE10-dist-in | 6.701 | APE9-dist-in | 3.61 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 292.0 | 292.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | AF-Q00535-K3 | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 4e-84 | 288.8 | 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 |
|---|