| 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 | 8K5RA | P50750 | 5 | 327 | 372.0 | VQE:401 | Type1 | Inactive | DFGin | 7.5425 | 15.4625 | BLAminus | -127.7, -178.83 | 57.51, 52.57 | -82.11, 20.94 | 280.63, 64.24 | -61.34, -43.86 | in-out | in | 9.2916 | Saltbr-out | 3.7162 | HRD-in | -86.18, -55.67 | 72.35, 16.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7091 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.28, 166.1 | APE9-dihe-na | 82.22, 165.84 | APE8-dihe-in | -71.04, 149.98 | APE8-rot-in | 312.55 | APE67-dihe-in | -65.92, -42.72 | -67.97, -33.99 | APE12-dist-in | 12.9159 | APE11-dist-in | 11.442 | APE10-dist-in | 6.8195 | APE9-dist-in | 3.1643 | S7D,V8N,K44R,Y138F,K280A,D307E,N311E | TPO186 | TPO186 | XRAY | 3.751 | 0.203 | 0.245 | A | 330.0 | 306.0 | 17 | 32 | 29 | 3 | [[19, 315]] | 1.0 | 8k5r | CMGC_CDK9_HUMAN | CMGC | 9.7e-80 | 273.9 | 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 | 8K5RA | P50750 | 5 | 327 | 372.0 | VQE:401 | Type1 | Inactive | DFGin | 7.5425 | 15.4625 | BLAminus | -127.7, -178.83 | 57.51, 52.57 | -82.11, 20.94 | 280.63, 64.24 | -61.34, -43.86 | in-out | in | 9.2916 | Saltbr-out | 3.7162 | HRD-in | -86.18, -55.67 | 72.35, 16.43 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7091 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.28, 166.1 | APE9-dihe-na | 82.22, 165.84 | APE8-dihe-in | -71.04, 149.98 | APE8-rot-in | 312.55 | APE67-dihe-in | -65.92, -42.72 | -67.97, -33.99 | APE12-dist-in | 12.9159 | APE11-dist-in | 11.442 | APE10-dist-in | 6.8195 | APE9-dist-in | 3.1643 | S7D,V8N,K44R,Y138F,K280A,D307E,N311E | TPO186 | TPO186 | XRAY | 3.751 | 0.203 | 0.245 | A | 330.0 | 306.0 | 17 | 32 | 29 | 3 | [[19, 315]] | 1.0 | 8k5r | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 9.7e-80 | 273.9 | 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 |
|---|