| 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 | 4IMYC | P50750 | 8 | 330 | 372.0 | AMP:401 | ATPlike | Active | DFGin | 6.7892 | 15.1227 | BLAminus | -140.61, 175.84 | 60.41, 77.79 | -97.02, 19.01 | 284.69, 80.72 | -68.98, -8.54 | in-in | in | 9.2316 | Saltbr-in | 2.8334 | HRD-in | -67.68, -50.97 | 65.16, 13.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9277 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.81, 161.81 | APE9-dihe-na | 73.71, 135.92 | APE8-dihe-in | -53.34, 141.57 | APE8-rot-in | 294.85 | APE67-dihe-in | -61.16, -25.06 | -47.9, -50.46 | APE12-dist-in | 13.386 | APE11-dist-in | 11.4309 | APE10-dist-in | 7.0061 | APE9-dist-in | 3.2788 | None | TPO186 | TPO186 | XRAY | 2.94 | 0.209 | 0.245 | C | 332.0 | 311.0 | 12 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4imy | 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 | 4IMYE | P50750 | 8 | 330 | 372.0 | AMP:401 | ATPlike | Active | DFGin | 6.7942 | 15.1123 | BLAminus | -141.41, 175.75 | 59.75, 77.9 | -96.66, 19.65 | 284.44, 80.03 | -69.65, -8.18 | in-in | in | 9.1968 | Saltbr-in | 2.8157 | HRD-in | -68.02, -51.11 | 68.06, 12.23 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9192 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.97, 161.65 | APE9-dihe-na | 74.14, 135.63 | APE8-dihe-in | -53.23, 140.74 | APE8-rot-in | 294.81 | APE67-dihe-in | -59.86, -25.62 | -47.7, -50.88 | APE12-dist-in | 13.4053 | APE11-dist-in | 11.4373 | APE10-dist-in | 7.0102 | APE9-dist-in | 3.2779 | None | TPO186 | TPO186 | XRAY | 2.94 | 0.209 | 0.245 | E | 332.0 | 314.0 | 9 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4imy | 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 | 4IMYA | P50750 | 8 | 330 | 372.0 | AMP:401 | Type1.5_Back | Active | DFGin | 6.761 | 15.1264 | BLAminus | -140.16, 177.94 | 57.41, 78.2 | -96.63, 19.81 | 285.27, 81.22 | -68.88, -9.41 | in-in | in | 9.2269 | Saltbr-in | 2.8489 | HRD-in | -67.2, -51.3 | 65.19, 13.63 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9203 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.99, 161.25 | APE9-dihe-na | 74.17, 135.57 | APE8-dihe-in | -52.35, 140.79 | APE8-rot-in | 295.69 | APE67-dihe-in | -60.8, -24.95 | -48.08, -50.31 | APE12-dist-in | 13.3896 | APE11-dist-in | 11.433 | APE10-dist-in | 7.0087 | APE9-dist-in | 3.2703 | None | TPO186 | TPO186 | XRAY | 2.94 | 0.209 | 0.245 | A | 332.0 | 315.0 | 8 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4imy | 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 | 4IMYC | P50750 | 8 | 330 | 372.0 | AMP:401 | ATPlike | Active | DFGin | 6.7892 | 15.1227 | BLAminus | -140.61, 175.84 | 60.41, 77.79 | -97.02, 19.01 | 284.69, 80.72 | -68.98, -8.54 | in-in | in | 9.2316 | Saltbr-in | 2.8334 | HRD-in | -67.68, -50.97 | 65.16, 13.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9277 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.81, 161.81 | APE9-dihe-na | 73.71, 135.92 | APE8-dihe-in | -53.34, 141.57 | APE8-rot-in | 294.85 | APE67-dihe-in | -61.16, -25.06 | -47.9, -50.46 | APE12-dist-in | 13.386 | APE11-dist-in | 11.4309 | APE10-dist-in | 7.0061 | APE9-dist-in | 3.2788 | None | TPO186 | TPO186 | XRAY | 2.94 | 0.209 | 0.245 | C | 332.0 | 311.0 | 12 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4imy | 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 | 4IMYE | P50750 | 8 | 330 | 372.0 | AMP:401 | ATPlike | Active | DFGin | 6.7942 | 15.1123 | BLAminus | -141.41, 175.75 | 59.75, 77.9 | -96.66, 19.65 | 284.44, 80.03 | -69.65, -8.18 | in-in | in | 9.1968 | Saltbr-in | 2.8157 | HRD-in | -68.02, -51.11 | 68.06, 12.23 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9192 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.97, 161.65 | APE9-dihe-na | 74.14, 135.63 | APE8-dihe-in | -53.23, 140.74 | APE8-rot-in | 294.81 | APE67-dihe-in | -59.86, -25.62 | -47.7, -50.88 | APE12-dist-in | 13.4053 | APE11-dist-in | 11.4373 | APE10-dist-in | 7.0102 | APE9-dist-in | 3.2779 | None | TPO186 | TPO186 | XRAY | 2.94 | 0.209 | 0.245 | E | 332.0 | 314.0 | 9 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4imy | 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 | 4IMYA | P50750 | 8 | 330 | 372.0 | AMP:401 | Type1.5_Back | Active | DFGin | 6.761 | 15.1264 | BLAminus | -140.16, 177.94 | 57.41, 78.2 | -96.63, 19.81 | 285.27, 81.22 | -68.88, -9.41 | in-in | in | 9.2269 | Saltbr-in | 2.8489 | HRD-in | -67.2, -51.3 | 65.19, 13.63 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9203 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.99, 161.25 | APE9-dihe-na | 74.17, 135.57 | APE8-dihe-in | -52.35, 140.79 | APE8-rot-in | 295.69 | APE67-dihe-in | -60.8, -24.95 | -48.08, -50.31 | APE12-dist-in | 13.3896 | APE11-dist-in | 11.433 | APE10-dist-in | 7.0087 | APE9-dist-in | 3.2703 | None | TPO186 | TPO186 | XRAY | 2.94 | 0.209 | 0.245 | A | 332.0 | 315.0 | 8 | 32 | 32 | 0 | [[19, 315]] | 1.0 | 4imy | 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 |
|---|