| 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 | 8R9BA | P50613 | 1 | 311 | 346.0 | ANP:401 | ATPlike | Inactive | DFGin | 6.6665 | 15.0398 | None | -136.41, -179.13 | 75.36, -66.57 | 59.32, 16.33 | 291.11, 69.78 | 55.95, 32.69 | out-out | out | 13.486 | Saltbr-out | 13.7543 | HRD-in | -65.3, -54.78 | 73.94, 0.68 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.5504 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -74.63, 115.42 | APE9-dihe-na | -115.54, -2.31 | APE8-dihe-out | -56.05, -31.84 | APE8-rot-out | 157.42 | APE67-dihe-in | -63.34, -23.16 | -66.49, -24.29 | APE12-dist-out | 18.0017 | APE11-dist-out | 20.1866 | APE10-dist-out | 16.0858 | APE9-dist-out | 11.4652 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | A | 352.0 | 301.0 | 10 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 8r9b | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BB | P50613 | 3 | 310 | 346.0 | ANP:402 | ATPlike | Inactive | DFGin | 6.5631 | 15.0836 | None | -126.22, 177.01 | 84.52, -73.28 | 65.77, 22.93 | 292.14, 76.04 | 47.33, 39.02 | out-out | out | 13.6069 | Saltbr-out | 11.882 | HRD-in | -71.08, -53.54 | 74.78, -6.63 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.9359 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -81.04, 115.32 | APE9-dihe-na | -115.04, 1.93 | APE8-dihe-out | -60.49, -32.76 | APE8-rot-out | 168.86 | APE67-dihe-in | -59.67, -24.77 | -68.61, -28.01 | APE12-dist-out | 17.7792 | APE11-dist-out | 20.1865 | APE10-dist-out | 16.1566 | APE9-dist-out | 11.4157 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | B | 352.0 | 298.0 | 10 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 8r9b | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BC | P50613 | 8 | 311 | 346.0 | ANP:402 | ATPlike | Inactive | DFGin | 6.4512 | 15.3403 | None | -116.21, 176.78 | 77.39, -97.04 | 64.16, 26.01 | 311.61, 20.83 | 46.47, 58.36 | out-out | out | 13.1044 | Saltbr-out | 12.1328 | HRD-in | -78.41, -55.45 | 77.67, -2.52 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.9218 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, 132.76 | APE9-dihe-na | -87.2, -35.35 | APE8-dihe-out | -49.87, -35.32 | APE8-rot-in | 271.7 | APE67-dihe-in | -63.34, -21.13 | -58.67, -34.22 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.9279 | APE9-dist-out | 10.9338 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | C | 352.0 | 276.0 | 28 | 28 | 16 | 12 | [[12, 295]] | 1.0 | 8r9b | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BD | P50613 | 9 | 311 | 346.0 | ANP:402 | ATPlike | Inactive | DFGin | 5.1856 | 15.5294 | None | -119.23, -173.72 | 58.44, -119.7 | 56.58, 114.74 | 106.06, 59.9 | 70.5, -151.21 | out-out | out | 13.0617 | Saltbr-out | 12.3535 | HRD-in | -80.52, -56.05 | 80.67, -8.56 | out-out-out | SNCooo | out-out | ActLoopNT-out | 13.0554 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, -29.49 | APE9-dihe-na | -113.47, -32.42 | APE8-dihe-out | -62.11, -27.52 | APE8-rot-out | 75.68 | APE67-dihe-in | -62.12, -24.79 | -50.05, -35.03 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 18.1604 | APE9-dist-out | 11.1556 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | D | 352.0 | 277.0 | 26 | 28 | 18 | 10 | [[12, 295]] | 1.0 | 8r9b | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BA | P50613 | 1 | 311 | 346.0 | ANP:401 | ATPlike | Inactive | DFGin | 6.6665 | 15.0398 | None | -136.41, -179.13 | 75.36, -66.57 | 59.32, 16.33 | 291.11, 69.78 | 55.95, 32.69 | out-out | out | 13.486 | Saltbr-out | 13.7543 | HRD-in | -65.3, -54.78 | 73.94, 0.68 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.5504 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -74.63, 115.42 | APE9-dihe-na | -115.54, -2.31 | APE8-dihe-out | -56.05, -31.84 | APE8-rot-out | 157.42 | APE67-dihe-in | -63.34, -23.16 | -66.49, -24.29 | APE12-dist-out | 18.0017 | APE11-dist-out | 20.1866 | APE10-dist-out | 16.0858 | APE9-dist-out | 11.4652 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | A | 352.0 | 301.0 | 10 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 8r9b | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BB | P50613 | 3 | 310 | 346.0 | ANP:402 | ATPlike | Inactive | DFGin | 6.5631 | 15.0836 | None | -126.22, 177.01 | 84.52, -73.28 | 65.77, 22.93 | 292.14, 76.04 | 47.33, 39.02 | out-out | out | 13.6069 | Saltbr-out | 11.882 | HRD-in | -71.08, -53.54 | 74.78, -6.63 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.9359 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -81.04, 115.32 | APE9-dihe-na | -115.04, 1.93 | APE8-dihe-out | -60.49, -32.76 | APE8-rot-out | 168.86 | APE67-dihe-in | -59.67, -24.77 | -68.61, -28.01 | APE12-dist-out | 17.7792 | APE11-dist-out | 20.1865 | APE10-dist-out | 16.1566 | APE9-dist-out | 11.4157 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | B | 352.0 | 298.0 | 10 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 8r9b | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BC | P50613 | 8 | 311 | 346.0 | ANP:402 | ATPlike | Inactive | DFGin | 6.4512 | 15.3403 | None | -116.21, 176.78 | 77.39, -97.04 | 64.16, 26.01 | 311.61, 20.83 | 46.47, 58.36 | out-out | out | 13.1044 | Saltbr-out | 12.1328 | HRD-in | -78.41, -55.45 | 77.67, -2.52 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.9218 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, 132.76 | APE9-dihe-na | -87.2, -35.35 | APE8-dihe-out | -49.87, -35.32 | APE8-rot-in | 271.7 | APE67-dihe-in | -63.34, -21.13 | -58.67, -34.22 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.9279 | APE9-dist-out | 10.9338 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | C | 352.0 | 276.0 | 28 | 28 | 16 | 12 | [[12, 295]] | 1.0 | 8r9b | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 | 8R9BD | P50613 | 9 | 311 | 346.0 | ANP:402 | ATPlike | Inactive | DFGin | 5.1856 | 15.5294 | None | -119.23, -173.72 | 58.44, -119.7 | 56.58, 114.74 | 106.06, 59.9 | 70.5, -151.21 | out-out | out | 13.0617 | Saltbr-out | 12.3535 | HRD-in | -80.52, -56.05 | 80.67, -8.56 | out-out-out | SNCooo | out-out | ActLoopNT-out | 13.0554 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, -29.49 | APE9-dihe-na | -113.47, -32.42 | APE8-dihe-out | -62.11, -27.52 | APE8-rot-out | 75.68 | APE67-dihe-in | -62.12, -24.79 | -50.05, -35.03 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 18.1604 | APE9-dist-out | 11.1556 | S164D,T170E | None | None | XRAY | 2.21 | 0.195 | 0.243 | D | 352.0 | 277.0 | 26 | 28 | 18 | 10 | [[12, 295]] | 1.0 | 8r9b | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 5.9e-78 | 269.9 | 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 |
|---|