| 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 | 1UA2A | P50613 | 13 | 311 | 346.0 | ATP:381 | ATPlike | Inactive | DFGin | 3.8381 | 15.0736 | None | -72.36, 176.54 | -63.29, 129.93 | -58.5, 61.34 | 34.11, 88.78 | 62.95, -115.18 | out-out | out | 13.0144 | Saltbr-out | 13.6332 | HRD-out | -71.94, 127.86 | -111.75, 17.16 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7811 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -60.17, 155.77 | APE9-dihe-na | -94.04, -36.01 | APE8-dihe-out | 80.52, 83.34 | APE8-rot-in | 310.15 | APE67-dihe-in | -70.12, 0.07 | -111.89, 13.44 | APE12-dist-out | 21.6082 | APE11-dist-out | 18.7453 | APE10-dist-out | 20.4575 | APE9-dist-out | 13.0189 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | A | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2B | P50613 | 13 | 311 | 346.0 | ATP:382 | ATPlike | Inactive | DFGin | 4.0749 | 14.4826 | None | -83.42, -165.13 | -43.25, 135.34 | -79.47, 27.14 | 49.47, 35.58 | 128.26, -117.59 | out-out | out | 13.2082 | Saltbr-out | 11.1817 | HRD-out | -90.35, 54.77 | -58.64, -3.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7547 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -59.37, 128.97 | APE9-dihe-na | -70.17, -103.62 | APE8-dihe-out | 114.41, 132.59 | APE8-rot-out | 86.06 | APE67-dihe-in | -64.71, -6.03 | -138.86, 19.47 | APE12-dist-out | 21.3562 | APE11-dist-out | 17.9388 | APE10-dist-out | 20.1165 | APE9-dist-out | 13.1186 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | B | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2C | P50613 | 13 | 311 | 346.0 | ATP:383 | ATPlike | Inactive | DFGin | 4.3773 | 15.832 | None | -69.53, 164.86 | -53.4, 113.84 | -55.09, 81.41 | 35.63, 74.81 | 38.07, -90.08 | out-out | out | 14.2914 | Saltbr-out | 13.3504 | HRD-out | -90.81, 75.3 | -67.23, 24.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7246 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -61.3, 146.02 | APE9-dihe-na | -103.14, 168.98 | APE8-dihe-in | -149.98, 115.15 | APE8-rot-in | 317.59 | APE67-dihe-in | -70.34, -0.48 | -115.08, 9.43 | APE12-dist-out | 21.9947 | APE11-dist-out | 19.6363 | APE10-dist-out | 20.1195 | APE9-dist-out | 12.6188 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | C | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2D | P50613 | 13 | 311 | 346.0 | ATP:384 | ATPlike | Inactive | DFGin | 3.9714 | 15.4823 | None | -66.13, 178.54 | -66.01, 128.6 | -62.88, 66.21 | 38.44, 67.87 | 63.18, -97.8 | out-out | out | 13.2417 | Saltbr-out | 13.5751 | HRD-out | -80.45, 94.07 | -71.75, -5.97 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.8955 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -70.63, 129.76 | APE9-dihe-na | -71.09, 152.84 | APE8-dihe-in | -147.91, 130.69 | APE8-rot-out | 68.98 | APE67-dihe-in | -88.14, 9.58 | -128.15, 23.18 | APE12-dist-out | 22.1448 | APE11-dist-out | 18.8445 | APE10-dist-out | 20.0096 | APE9-dist-out | 12.6573 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | D | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2A | P50613 | 13 | 311 | 346.0 | ATP:381 | ATPlike | Inactive | DFGin | 3.8381 | 15.0736 | None | -72.36, 176.54 | -63.29, 129.93 | -58.5, 61.34 | 34.11, 88.78 | 62.95, -115.18 | out-out | out | 13.0144 | Saltbr-out | 13.6332 | HRD-out | -71.94, 127.86 | -111.75, 17.16 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7811 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -60.17, 155.77 | APE9-dihe-na | -94.04, -36.01 | APE8-dihe-out | 80.52, 83.34 | APE8-rot-in | 310.15 | APE67-dihe-in | -70.12, 0.07 | -111.89, 13.44 | APE12-dist-out | 21.6082 | APE11-dist-out | 18.7453 | APE10-dist-out | 20.4575 | APE9-dist-out | 13.0189 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | A | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2B | P50613 | 13 | 311 | 346.0 | ATP:382 | ATPlike | Inactive | DFGin | 4.0749 | 14.4826 | None | -83.42, -165.13 | -43.25, 135.34 | -79.47, 27.14 | 49.47, 35.58 | 128.26, -117.59 | out-out | out | 13.2082 | Saltbr-out | 11.1817 | HRD-out | -90.35, 54.77 | -58.64, -3.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7547 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | -59.37, 128.97 | APE9-dihe-na | -70.17, -103.62 | APE8-dihe-out | 114.41, 132.59 | APE8-rot-out | 86.06 | APE67-dihe-in | -64.71, -6.03 | -138.86, 19.47 | APE12-dist-out | 21.3562 | APE11-dist-out | 17.9388 | APE10-dist-out | 20.1165 | APE9-dist-out | 13.1186 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | B | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2C | P50613 | 13 | 311 | 346.0 | ATP:383 | ATPlike | Inactive | DFGin | 4.3773 | 15.832 | None | -69.53, 164.86 | -53.4, 113.84 | -55.09, 81.41 | 35.63, 74.81 | 38.07, -90.08 | out-out | out | 14.2914 | Saltbr-out | 13.3504 | HRD-out | -90.81, 75.3 | -67.23, 24.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.7246 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -61.3, 146.02 | APE9-dihe-na | -103.14, 168.98 | APE8-dihe-in | -149.98, 115.15 | APE8-rot-in | 317.59 | APE67-dihe-in | -70.34, -0.48 | -115.08, 9.43 | APE12-dist-out | 21.9947 | APE11-dist-out | 19.6363 | APE10-dist-out | 20.1195 | APE9-dist-out | 12.6188 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | C | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 | 1UA2D | P50613 | 13 | 311 | 346.0 | ATP:384 | ATPlike | Inactive | DFGin | 3.9714 | 15.4823 | None | -66.13, 178.54 | -66.01, 128.6 | -62.88, 66.21 | 38.44, 67.87 | 63.18, -97.8 | out-out | out | 13.2417 | Saltbr-out | 13.5751 | HRD-out | -80.45, 94.07 | -71.75, -5.97 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.8955 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -70.63, 129.76 | APE9-dihe-na | -71.09, 152.84 | APE8-dihe-in | -147.91, 130.69 | APE8-rot-out | 68.98 | APE67-dihe-in | -88.14, 9.58 | -128.15, 23.18 | APE12-dist-out | 22.1448 | APE11-dist-out | 18.8445 | APE10-dist-out | 20.0096 | APE9-dist-out | 12.6573 | None | TPO170 | TPO170 | XRAY | 3.02 | 0.217 | 0.288 | D | 346.0 | 287.0 | 13 | 28 | 28 | 0 | [[12, 295]] | 1.0 | 1ua2 | Homo sapiens | CMGC_CDK7_HUMAN | CMGC | 1.6e-78 | 271.8 | 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 |
|---|