| 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 | 7VDQA | Q00535 | 2 | 291 | 292.0 | 64V:301 | Type1 | Inactive | DFGin | 6.6062 | 15.2883 | BLAminus | -126.33, 172.99 | 66.95, 84.9 | -102.8, 32.89 | 288.52, 70.91 | -63.45, -40.23 | in-in | in | 8.7668 | Saltbr-in | 2.9151 | HRD-in | -78.08, -59.02 | 67.94, 17.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8528 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -140.03, 142.95 | APE9-dihe-na | 72.97, 131.4 | APE8-dihe-in | -63.75, 141.79 | APE8-rot-out | 59.38 | APE67-dihe-in | -67.5, -17.15 | -39.1, -48.99 | APE12-dist-in | 13.3265 | APE11-dist-in | 10.4562 | APE10-dist-in | 6.9809 | APE9-dist-in | 3.343 | None | None | None | XRAY | 2.91 | 0.254 | 0.284 | A | 292.0 | 290.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 7vdq | 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 | 7VDQB | Q00535 | 3 | 288 | 292.0 | 64V:301 | Type1 | Inactive | DFGin | 6.7029 | 15.3713 | BLAminus | -126.83, 173.21 | 67.53, 85.45 | -103.83, 35.8 | 289.7, 71.3 | -66.2, -38.73 | in-in | in | 8.902 | Saltbr-in | 2.9093 | HRD-in | -79.53, -57.9 | 70.89, 16.51 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8736 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -139.15, 143.9 | APE9-dihe-na | 74.88, 143.9 | APE8-dihe-in | -77.64, 140.07 | APE8-rot-out | 62.74 | APE67-dihe-in | -67.14, -19.69 | -37.77, -52.43 | APE12-dist-in | 12.7444 | APE11-dist-in | 9.9205 | APE10-dist-in | 6.6672 | APE9-dist-in | 3.3445 | None | None | None | XRAY | 2.91 | 0.254 | 0.284 | B | 292.0 | 277.0 | 9 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 7vdq | 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 | 7VDQA | Q00535 | 2 | 291 | 292.0 | 64V:301 | Type1 | Inactive | DFGin | 6.6062 | 15.2883 | BLAminus | -126.33, 172.99 | 66.95, 84.9 | -102.8, 32.89 | 288.52, 70.91 | -63.45, -40.23 | in-in | in | 8.7668 | Saltbr-in | 2.9151 | HRD-in | -78.08, -59.02 | 67.94, 17.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8528 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -140.03, 142.95 | APE9-dihe-na | 72.97, 131.4 | APE8-dihe-in | -63.75, 141.79 | APE8-rot-out | 59.38 | APE67-dihe-in | -67.5, -17.15 | -39.1, -48.99 | APE12-dist-in | 13.3265 | APE11-dist-in | 10.4562 | APE10-dist-in | 6.9809 | APE9-dist-in | 3.343 | None | None | None | XRAY | 2.91 | 0.254 | 0.284 | A | 292.0 | 290.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 7vdq | 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 | 7VDQB | Q00535 | 3 | 288 | 292.0 | 64V:301 | Type1 | Inactive | DFGin | 6.7029 | 15.3713 | BLAminus | -126.83, 173.21 | 67.53, 85.45 | -103.83, 35.8 | 289.7, 71.3 | -66.2, -38.73 | in-in | in | 8.902 | Saltbr-in | 2.9093 | HRD-in | -79.53, -57.9 | 70.89, 16.51 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8736 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -139.15, 143.9 | APE9-dihe-na | 74.88, 143.9 | APE8-dihe-in | -77.64, 140.07 | APE8-rot-out | 62.74 | APE67-dihe-in | -67.14, -19.69 | -37.77, -52.43 | APE12-dist-in | 12.7444 | APE11-dist-in | 9.9205 | APE10-dist-in | 6.6672 | APE9-dist-in | 3.3445 | None | None | None | XRAY | 2.91 | 0.254 | 0.284 | B | 292.0 | 277.0 | 9 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 7vdq | 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 |
|---|