| 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 | CDK7 | CDK7_HUMAN | 8R9UA | P50613 | 10 | 311 | 346.0 | YNK:401 | Type1 | Inactive | DFGin | 6.9951 | 14.8189 | BLAminus | -136.34, 177.25 | 64.26, 71.88 | -94.29, 35.4 | 287.51, 80.17 | -88.88, -17.75 | in-in | in | 7.6675 | Saltbr-in | 3.0978 | HRD-in | -70.29, -39.89 | 54.29, 18.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9399 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, 95.99 | APE9-dihe-na | -33.61, 162.87 | APE8-dihe-in | -57.31, 147.69 | APE8-rot-out | 184.84 | APE67-dihe-in | -64.25, -23.63 | -55.57, -38.7 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.4547 | APE9-dist-in | 3.4208 | W132R,S164D,T170E | None | None | XRAY | 1.937 | 0.278 | 0.34 | A | 371.0 | 282.0 | 20 | 28 | 22 | 6 | [[12, 295]] | 1.0 | 8r9u | CMGC_CDK7_HUMAN | CMGC | 7.3e-78 | 269.6 | 1.0 | 301.0 | 301.0 | 154 | 155 | 156 | 158 | 160 | 41 | 62 | 66 | 134 | 136 | 135 | 137.0 | 195 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Cyclin-dependent kinase 7 |
| CMGC | CDK7 | CDK7_HUMAN | 8R9UB | P50613 | 10 | 311 | 346.0 | YNK:401 | Type1 | Inactive | DFGin | 7.1496 | 14.7787 | BLAminus | -129.44, 175.01 | 67.08, 73.42 | -94.57, 34.81 | 287.86, 79.6 | -89.74, -17.02 | in-in | in | 8.0316 | Saltbr-in | 2.9706 | HRD-in | -66.25, -52.35 | 71.96, 8.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8138 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, 137.47 | APE9-dihe-na | -49.58, 159.48 | APE8-dihe-in | -61.33, 140.09 | APE8-rot-out | 190.38 | APE67-dihe-in | -65.39, -24.05 | -38.15, -47.67 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.1568 | APE9-dist-in | 3.5728 | W132R,S164D,T170E | None | None | XRAY | 1.937 | 0.278 | 0.34 | B | 371.0 | 282.0 | 20 | 28 | 22 | 6 | [[12, 295]] | 1.0 | 8r9u | CMGC_CDK7_HUMAN | CMGC | 7.3e-78 | 269.6 | 1.0 | 301.0 | 301.0 | 154 | 155 | 156 | 158 | 160 | 41 | 62 | 66 | 134 | 136 | 135 | 137.0 | 195 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Cyclin-dependent kinase 7 |
| 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 | CDK7 | CDK7_HUMAN | 8R9UA | P50613 | 10 | 311 | 346.0 | YNK:401 | Type1 | Inactive | DFGin | 6.9951 | 14.8189 | BLAminus | -136.34, 177.25 | 64.26, 71.88 | -94.29, 35.4 | 287.51, 80.17 | -88.88, -17.75 | in-in | in | 7.6675 | Saltbr-in | 3.0978 | HRD-in | -70.29, -39.89 | 54.29, 18.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9399 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, 95.99 | APE9-dihe-na | -33.61, 162.87 | APE8-dihe-in | -57.31, 147.69 | APE8-rot-out | 184.84 | APE67-dihe-in | -64.25, -23.63 | -55.57, -38.7 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.4547 | APE9-dist-in | 3.4208 | W132R,S164D,T170E | None | None | XRAY | 1.937 | 0.278 | 0.34 | A | 371.0 | 282.0 | 20 | 28 | 22 | 6 | [[12, 295]] | 1.0 | 8r9u | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 7.3e-78 | 269.6 | 1.0 | 301.0 | 301.0 | 154 | 155 | 156 | 158 | 160 | 41 | 62 | 66 | 134 | 136 | 135 | 137.0 | 195 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Cyclin-dependent kinase 7 |
| CMGC | CDK7 | CDK7_HUMAN | 8R9UB | P50613 | 10 | 311 | 346.0 | YNK:401 | Type1 | Inactive | DFGin | 7.1496 | 14.7787 | BLAminus | -129.44, 175.01 | 67.08, 73.42 | -94.57, 34.81 | 287.86, 79.6 | -89.74, -17.02 | in-in | in | 8.0316 | Saltbr-in | 2.9706 | HRD-in | -66.25, -52.35 | 71.96, 8.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8138 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, 137.47 | APE9-dihe-na | -49.58, 159.48 | APE8-dihe-in | -61.33, 140.09 | APE8-rot-out | 190.38 | APE67-dihe-in | -65.39, -24.05 | -38.15, -47.67 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.1568 | APE9-dist-in | 3.5728 | W132R,S164D,T170E | None | None | XRAY | 1.937 | 0.278 | 0.34 | B | 371.0 | 282.0 | 20 | 28 | 22 | 6 | [[12, 295]] | 1.0 | 8r9u | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 7.3e-78 | 269.6 | 1.0 | 301.0 | 301.0 | 154 | 155 | 156 | 158 | 160 | 41 | 62 | 66 | 134 | 136 | 135 | 137.0 | 195 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Cyclin-dependent kinase 7 |
| 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 |
|---|