| 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 | 4AU8A | Q00535 | 2 | 289 | 292.0 | Z3R:61293 | Type1 | Inactive | DFGin | 7.1122 | 15.1372 | BLAminus | -135.37, 172.87 | 64.95, 77.01 | -97.51, 18.8 | 282.03, 77.47 | -65.91, -19.1 | in-in | in | 8.2084 | Saltbr-in | 2.6454 | HRD-in | -73.52, -48.92 | 73.07, -7.77 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9444 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooi | APE10-dihe-na | -144.11, 169.24 | APE9-dihe-na | -57.47, 146.77 | APE8-dihe-in | -51.22, 149.12 | APE8-rot-out | 191.34 | APE67-dihe-in | -62.35, -21.28 | -39.22, -50.79 | APE12-dist-in | 12.0461 | APE11-dist-out | 6.6974 | APE10-dist-out | 8.6457 | APE9-dist-in | 3.8759 | None | None | None | XRAY | 1.9 | 0.197 | 0.234 | A | 296.0 | 274.0 | 14 | 28 | 26 | 2 | [[4, 286]] | 1.0 | 4au8 | CMGC_CDK5_HUMAN | CMGC | 4.2e-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 | 4AU8B | Q00535 | 2 | 289 | 292.0 | Z3R:61293 | Type1 | Inactive | DFGin | 7.2608 | 15.5319 | BLAminus | -136.24, 169.41 | 66.3, 80.09 | -99.68, 21.4 | 281.94, 79.2 | -66.25, -19.98 | in-in | in | 8.1283 | Saltbr-in | 2.8349 | HRD-in | -70.21, -48.16 | 75.6, -7.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.947 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, 152.31 | APE9-dihe-na | -57.56, 146.64 | APE8-dihe-in | -53.33, 139.32 | APE8-rot-out | 196.17 | APE67-dihe-in | -60.73, -25.67 | -36.04, -48.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.8336 | APE9-dist-in | 3.8301 | None | None | None | XRAY | 1.9 | 0.197 | 0.234 | B | 296.0 | 277.0 | 11 | 28 | 22 | 6 | [[4, 286]] | 1.0 | 4au8 | CMGC_CDK5_HUMAN | CMGC | 4.2e-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 | 4AU8A | Q00535 | 2 | 289 | 292.0 | Z3R:61293 | Type1 | Inactive | DFGin | 7.1122 | 15.1372 | BLAminus | -135.37, 172.87 | 64.95, 77.01 | -97.51, 18.8 | 282.03, 77.47 | -65.91, -19.1 | in-in | in | 8.2084 | Saltbr-in | 2.6454 | HRD-in | -73.52, -48.92 | 73.07, -7.77 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9444 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooi | APE10-dihe-na | -144.11, 169.24 | APE9-dihe-na | -57.47, 146.77 | APE8-dihe-in | -51.22, 149.12 | APE8-rot-out | 191.34 | APE67-dihe-in | -62.35, -21.28 | -39.22, -50.79 | APE12-dist-in | 12.0461 | APE11-dist-out | 6.6974 | APE10-dist-out | 8.6457 | APE9-dist-in | 3.8759 | None | None | None | XRAY | 1.9 | 0.197 | 0.234 | A | 296.0 | 274.0 | 14 | 28 | 26 | 2 | [[4, 286]] | 1.0 | 4au8 | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 4.2e-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 | 4AU8B | Q00535 | 2 | 289 | 292.0 | Z3R:61293 | Type1 | Inactive | DFGin | 7.2608 | 15.5319 | BLAminus | -136.24, 169.41 | 66.3, 80.09 | -99.68, 21.4 | 281.94, 79.2 | -66.25, -19.98 | in-in | in | 8.1283 | Saltbr-in | 2.8349 | HRD-in | -70.21, -48.16 | 75.6, -7.91 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.947 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, 152.31 | APE9-dihe-na | -57.56, 146.64 | APE8-dihe-in | -53.33, 139.32 | APE8-rot-out | 196.17 | APE67-dihe-in | -60.73, -25.67 | -36.04, -48.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.8336 | APE9-dist-in | 3.8301 | None | None | None | XRAY | 1.9 | 0.197 | 0.234 | B | 296.0 | 277.0 | 11 | 28 | 22 | 6 | [[4, 286]] | 1.0 | 4au8 | Homo sapiens | CMGC_CDK5_HUMAN | CMGC | 4.2e-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 |
|---|