| 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 | 1UNHA | Q00535 | 2 | 288 | 292.0 | IXM:1288 | Type1 | Active | DFGin | 6.7757 | 15.0921 | BLAminus | -140.41, 176.0 | 60.42, 76.79 | -95.69, 24.18 | 281.89, 69.34 | -62.09, -29.91 | in-in | in | 8.6743 | Saltbr-in | 2.9932 | HRD-in | -79.64, -52.48 | 66.83, 20.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8414 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.37, 151.6 | APE9-dihe-na | 72.7, 127.61 | APE8-dihe-in | -51.97, 137.86 | APE8-rot-in | 307.6 | APE67-dihe-in | -65.83, -14.98 | -38.09, -55.48 | APE12-dist-in | 13.0995 | APE11-dist-in | 9.8991 | APE10-dist-in | 6.9004 | APE9-dist-in | 3.3457 | D144N | None | None | XRAY | 2.35 | 0.229 | 0.23 | A | 292.0 | 277.0 | 10 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unh | 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 | 1UNHB | Q00535 | 2 | 288 | 292.0 | IXM:1288 | Type1 | Active | DFGin | 6.8388 | 15.1453 | BLAminus | -141.38, 178.67 | 60.42, 76.27 | -98.32, 21.68 | 277.9, 76.2 | -63.97, -22.06 | in-in | in | 8.6349 | Saltbr-in | 3.2558 | HRD-in | -75.22, -55.65 | 69.38, 16.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8267 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.18, 147.66 | APE9-dihe-na | 73.19, 127.24 | APE8-dihe-in | -46.64, 135.38 | APE8-rot-in | 297.76 | APE67-dihe-in | -66.71, -15.92 | -39.6, -54.16 | APE12-dist-in | 13.1463 | APE11-dist-in | 9.9739 | APE10-dist-in | 7.0516 | APE9-dist-in | 3.3187 | D144N | None | None | XRAY | 2.35 | 0.229 | 0.23 | B | 292.0 | 277.0 | 10 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unh | 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 | 1UNHA | Q00535 | 2 | 288 | 292.0 | IXM:1288 | Type1 | Active | DFGin | 6.7757 | 15.0921 | BLAminus | -140.41, 176.0 | 60.42, 76.79 | -95.69, 24.18 | 281.89, 69.34 | -62.09, -29.91 | in-in | in | 8.6743 | Saltbr-in | 2.9932 | HRD-in | -79.64, -52.48 | 66.83, 20.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8414 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.37, 151.6 | APE9-dihe-na | 72.7, 127.61 | APE8-dihe-in | -51.97, 137.86 | APE8-rot-in | 307.6 | APE67-dihe-in | -65.83, -14.98 | -38.09, -55.48 | APE12-dist-in | 13.0995 | APE11-dist-in | 9.8991 | APE10-dist-in | 6.9004 | APE9-dist-in | 3.3457 | D144N | None | None | XRAY | 2.35 | 0.229 | 0.23 | A | 292.0 | 277.0 | 10 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unh | 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 | 1UNHB | Q00535 | 2 | 288 | 292.0 | IXM:1288 | Type1 | Active | DFGin | 6.8388 | 15.1453 | BLAminus | -141.38, 178.67 | 60.42, 76.27 | -98.32, 21.68 | 277.9, 76.2 | -63.97, -22.06 | in-in | in | 8.6349 | Saltbr-in | 3.2558 | HRD-in | -75.22, -55.65 | 69.38, 16.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8267 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.18, 147.66 | APE9-dihe-na | 73.19, 127.24 | APE8-dihe-in | -46.64, 135.38 | APE8-rot-in | 297.76 | APE67-dihe-in | -66.71, -15.92 | -39.6, -54.16 | APE12-dist-in | 13.1463 | APE11-dist-in | 9.9739 | APE10-dist-in | 7.0516 | APE9-dist-in | 3.3187 | D144N | None | None | XRAY | 2.35 | 0.229 | 0.23 | B | 292.0 | 277.0 | 10 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1unh | 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 |
|---|