| 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 | AF-P50750-K1A | P50750 | 11 | 323 | 372.0 | No_ligand | No_ligand | Active | DFGin | 6.8042 | 15.1653 | BLAminus | -137.37, 173.37 | 64.39, 60.59 | -77.02, 16.85 | 288.83, 77.77 | -62.06, -30.21 | in-in | in | 8.5177 | Saltbr-in | 2.7095 | HRD-in | -74.93, -50.16 | 64.15, 10.46 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8146 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.96, 171.33 | APE9-dihe-na | 63.33, 135.53 | APE8-dihe-in | -59.46, 137.0 | APE8-rot-in | 298.24 | APE67-dihe-in | -65.46, -22.86 | -48.78, -43.32 | APE12-dist-in | 13.0722 | APE11-dist-in | 11.3206 | APE10-dist-in | 6.6472 | APE9-dist-in | 3.3315 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 313.0 | 313.0 | 0 | 32 | 32 | 0 | [[19, 315]] | 1.0 | AF-P50750-K1 | CMGC_CDK9_HUMAN | CMGC | 3.3e-80 | 275.4 | 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 | AF-P50750-K3A | P50750 | 11 | 323 | 372.0 | No_ligand | No_ligand | Active | DFGin | 7.0625 | 14.6978 | BLAminus | -139.94, 174.92 | 58.53, 50.7 | -65.37, 20.59 | 281.14, 76.16 | -63.5, -35.02 | in-in | in | 8.8 | Saltbr-in | 2.7654 | HRD-in | -75.68, -48.0 | 63.0, 17.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8529 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.22, 172.67 | APE9-dihe-na | 61.33, 130.24 | APE8-dihe-in | -58.01, 135.54 | APE8-rot-in | 298.09 | APE67-dihe-in | -65.99, -22.34 | -47.59, -46.0 | APE12-dist-in | 12.5857 | APE11-dist-in | 10.571 | APE10-dist-in | 6.2046 | APE9-dist-in | 3.3667 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 313.0 | 313.0 | 0 | 32 | 32 | 0 | [[19, 315]] | 1.0 | AF-P50750-K3 | CMGC_CDK9_HUMAN | CMGC | 3.3e-80 | 275.4 | 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 | AF-P50750-K1A | P50750 | 11 | 323 | 372.0 | No_ligand | No_ligand | Active | DFGin | 6.8042 | 15.1653 | BLAminus | -137.37, 173.37 | 64.39, 60.59 | -77.02, 16.85 | 288.83, 77.77 | -62.06, -30.21 | in-in | in | 8.5177 | Saltbr-in | 2.7095 | HRD-in | -74.93, -50.16 | 64.15, 10.46 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8146 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.96, 171.33 | APE9-dihe-na | 63.33, 135.53 | APE8-dihe-in | -59.46, 137.0 | APE8-rot-in | 298.24 | APE67-dihe-in | -65.46, -22.86 | -48.78, -43.32 | APE12-dist-in | 13.0722 | APE11-dist-in | 11.3206 | APE10-dist-in | 6.6472 | APE9-dist-in | 3.3315 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 313.0 | 313.0 | 0 | 32 | 32 | 0 | [[19, 315]] | 1.0 | AF-P50750-K1 | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 3.3e-80 | 275.4 | 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 | AF-P50750-K3A | P50750 | 11 | 323 | 372.0 | No_ligand | No_ligand | Active | DFGin | 7.0625 | 14.6978 | BLAminus | -139.94, 174.92 | 58.53, 50.7 | -65.37, 20.59 | 281.14, 76.16 | -63.5, -35.02 | in-in | in | 8.8 | Saltbr-in | 2.7654 | HRD-in | -75.68, -48.0 | 63.0, 17.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8529 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.22, 172.67 | APE9-dihe-na | 61.33, 130.24 | APE8-dihe-in | -58.01, 135.54 | APE8-rot-in | 298.09 | APE67-dihe-in | -65.99, -22.34 | -47.59, -46.0 | APE12-dist-in | 12.5857 | APE11-dist-in | 10.571 | APE10-dist-in | 6.2046 | APE9-dist-in | 3.3667 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 313.0 | 313.0 | 0 | 32 | 32 | 0 | [[19, 315]] | 1.0 | AF-P50750-K3 | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 3.3e-80 | 275.4 | 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 |
|---|