| 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 | CDK9 | CDK9_HUMAN | 4OGRA | P50750 | 8 | 330 | 372.0 | ADN:60401 | Type1 | Active | DFGin | 6.9587 | 14.852 | BLAminus | -145.48, 171.71 | 58.99, 73.11 | -88.05, 19.07 | 282.19, 75.89 | -59.04, -25.77 | in-in | in | 8.622 | Saltbr-in | 3.2016 | HRD-in | -78.29, -48.1 | 62.83, 28.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8854 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.59, 171.14 | APE9-dihe-na | 70.34, 130.75 | APE8-dihe-in | -51.49, 135.3 | APE8-rot-in | 303.62 | APE67-dihe-in | -61.39, -34.94 | -50.28, -42.94 | APE12-dist-in | 13.2451 | APE11-dist-in | 11.4816 | APE10-dist-in | 6.7057 | APE9-dist-in | 3.2055 | None | TPO186 | TPO186 | XRAY | 3.0 | 0.206 | 0.232 | A | 332.0 | 315.0 | 8 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4ogr | CMGC_CDK9_HUMAN | CMGC | 4.1e-80 | 275.1 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| CMGC | CDK9 | CDK9_HUMAN | 4OGRE | P50750 | 8 | 330 | 372.0 | ADN:60401 | Type1 | Active | DFGin | 7.086 | 14.7487 | BLAminus | -145.95, 172.29 | 59.47, 72.14 | -89.89, 19.36 | 283.65, 75.49 | -58.97, -26.2 | in-in | in | 8.8012 | Saltbr-in | 2.9314 | HRD-in | -77.91, -48.96 | 62.4, 28.78 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8481 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.99, 169.74 | APE9-dihe-na | 65.95, 134.0 | APE8-dihe-in | -52.43, 138.08 | APE8-rot-in | 303.65 | APE67-dihe-in | -62.11, -36.08 | -50.82, -43.72 | APE12-dist-in | 13.2144 | APE11-dist-in | 11.1773 | APE10-dist-in | 6.7991 | APE9-dist-in | 3.4289 | None | TPO186 | TPO186 | XRAY | 3.0 | 0.206 | 0.232 | E | 332.0 | 311.0 | 12 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4ogr | CMGC_CDK9_HUMAN | CMGC | 4.1e-80 | 275.1 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| CMGC | CDK9 | CDK9_HUMAN | 4OGRI | P50750 | 8 | 330 | 372.0 | ADN:60401 | Type1 | Active | DFGin | 7.0203 | 14.8566 | BLAminus | -146.32, 171.3 | 58.62, 73.81 | -88.0, 20.33 | 283.45, 75.93 | -58.21, -25.18 | in-in | in | 8.7536 | Saltbr-in | 3.2525 | HRD-in | -77.88, -47.68 | 62.44, 29.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9367 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.71, 169.37 | APE9-dihe-na | 67.96, 131.32 | APE8-dihe-in | -52.01, 135.85 | APE8-rot-in | 303.33 | APE67-dihe-in | -60.26, -34.97 | -51.39, -42.17 | APE12-dist-in | 13.226 | APE11-dist-in | 11.0359 | APE10-dist-in | 6.5244 | APE9-dist-in | 3.1268 | None | TPO186 | TPO186 | XRAY | 3.0 | 0.206 | 0.232 | I | 332.0 | 319.0 | 4 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4ogr | CMGC_CDK9_HUMAN | CMGC | 4.1e-80 | 275.1 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| 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 | CDK9 | CDK9_HUMAN | 4OGRA | P50750 | 8 | 330 | 372.0 | ADN:60401 | Type1 | Active | DFGin | 6.9587 | 14.852 | BLAminus | -145.48, 171.71 | 58.99, 73.11 | -88.05, 19.07 | 282.19, 75.89 | -59.04, -25.77 | in-in | in | 8.622 | Saltbr-in | 3.2016 | HRD-in | -78.29, -48.1 | 62.83, 28.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8854 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.59, 171.14 | APE9-dihe-na | 70.34, 130.75 | APE8-dihe-in | -51.49, 135.3 | APE8-rot-in | 303.62 | APE67-dihe-in | -61.39, -34.94 | -50.28, -42.94 | APE12-dist-in | 13.2451 | APE11-dist-in | 11.4816 | APE10-dist-in | 6.7057 | APE9-dist-in | 3.2055 | None | TPO186 | TPO186 | XRAY | 3.0 | 0.206 | 0.232 | A | 332.0 | 315.0 | 8 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4ogr | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 4.1e-80 | 275.1 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| CMGC | CDK9 | CDK9_HUMAN | 4OGRE | P50750 | 8 | 330 | 372.0 | ADN:60401 | Type1 | Active | DFGin | 7.086 | 14.7487 | BLAminus | -145.95, 172.29 | 59.47, 72.14 | -89.89, 19.36 | 283.65, 75.49 | -58.97, -26.2 | in-in | in | 8.8012 | Saltbr-in | 2.9314 | HRD-in | -77.91, -48.96 | 62.4, 28.78 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8481 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.99, 169.74 | APE9-dihe-na | 65.95, 134.0 | APE8-dihe-in | -52.43, 138.08 | APE8-rot-in | 303.65 | APE67-dihe-in | -62.11, -36.08 | -50.82, -43.72 | APE12-dist-in | 13.2144 | APE11-dist-in | 11.1773 | APE10-dist-in | 6.7991 | APE9-dist-in | 3.4289 | None | TPO186 | TPO186 | XRAY | 3.0 | 0.206 | 0.232 | E | 332.0 | 311.0 | 12 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4ogr | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 4.1e-80 | 275.1 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| CMGC | CDK9 | CDK9_HUMAN | 4OGRI | P50750 | 8 | 330 | 372.0 | ADN:60401 | Type1 | Active | DFGin | 7.0203 | 14.8566 | BLAminus | -146.32, 171.3 | 58.62, 73.81 | -88.0, 20.33 | 283.45, 75.93 | -58.21, -25.18 | in-in | in | 8.7536 | Saltbr-in | 3.2525 | HRD-in | -77.88, -47.68 | 62.44, 29.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9367 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.71, 169.37 | APE9-dihe-na | 67.96, 131.32 | APE8-dihe-in | -52.01, 135.85 | APE8-rot-in | 303.33 | APE67-dihe-in | -60.26, -34.97 | -51.39, -42.17 | APE12-dist-in | 13.226 | APE11-dist-in | 11.0359 | APE10-dist-in | 6.5244 | APE9-dist-in | 3.1268 | None | TPO186 | TPO186 | XRAY | 3.0 | 0.206 | 0.232 | I | 332.0 | 319.0 | 4 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4ogr | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 4.1e-80 | 275.1 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| 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 |
|---|