| 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 | CDK12 | CDK12_HUMAN | 4UN0C | Q9NYV4 | 719 | 1036 | 1490.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2318 | 15.5034 | BLAminus | -124.23, -178.57 | 61.68, 76.73 | -100.84, 26.92 | 286.01, 6.79 | -65.68, -44.77 | in-none | in | 8.9953 | Saltbr-none | 999.0 | HRD-in | -69.99, -50.49 | 63.23, 23.44 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.9363 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiii | APE10-dihe-na | -139.84, 155.57 | APE9-dihe-na | 72.34, -14.08 | APE8-dihe-out | 67.52, 158.6 | APE8-rot-out | 70.66 | APE67-dihe-in | -58.83, -37.69 | -56.4, -50.16 | APE12-dist-in | 13.1272 | APE11-dist-in | 10.7644 | APE10-dist-in | 7.9437 | APE9-dist-in | 3.9269 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.217 | 0.271 | C | 326.0 | 309.0 | 9 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 4un0 | CMGC_CDK12_HUMAN | CMGC | 2.2e-84 | 289.2 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| CMGC | CDK12 | CDK12_HUMAN | 4UN0D | Q9NYV4 | 723 | 1024 | 1490.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1953 | 15.4696 | BLAminus | -123.96, -178.26 | 62.11, 76.94 | -101.1, 26.4 | 286.66, 6.77 | -66.07, -44.8 | in-none | in | 8.9588 | Saltbr-none | 999.0 | HRD-in | -70.01, -50.55 | 63.3, 23.26 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8072 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiii | APE10-dihe-na | -139.6, 156.23 | APE9-dihe-na | 75.54, -12.58 | APE8-dihe-out | 66.76, 157.7 | APE8-rot-out | 70.35 | APE67-dihe-in | -58.41, -37.99 | -56.68, -49.87 | APE12-dist-in | 13.2106 | APE11-dist-in | 11.101 | APE10-dist-in | 7.9718 | APE9-dist-in | 3.9556 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.217 | 0.271 | D | 326.0 | 277.0 | 25 | 29 | 24 | 5 | [[727, 1020]] | 1.0 | 4un0 | CMGC_CDK12_HUMAN | CMGC | 2.2e-84 | 289.2 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| 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 | CDK12 | CDK12_HUMAN | 4UN0C | Q9NYV4 | 719 | 1036 | 1490.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2318 | 15.5034 | BLAminus | -124.23, -178.57 | 61.68, 76.73 | -100.84, 26.92 | 286.01, 6.79 | -65.68, -44.77 | in-none | in | 8.9953 | Saltbr-none | 999.0 | HRD-in | -69.99, -50.49 | 63.23, 23.44 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.9363 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiii | APE10-dihe-na | -139.84, 155.57 | APE9-dihe-na | 72.34, -14.08 | APE8-dihe-out | 67.52, 158.6 | APE8-rot-out | 70.66 | APE67-dihe-in | -58.83, -37.69 | -56.4, -50.16 | APE12-dist-in | 13.1272 | APE11-dist-in | 10.7644 | APE10-dist-in | 7.9437 | APE9-dist-in | 3.9269 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.217 | 0.271 | C | 326.0 | 309.0 | 9 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 4un0 | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.2e-84 | 289.2 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| CMGC | CDK12 | CDK12_HUMAN | 4UN0D | Q9NYV4 | 723 | 1024 | 1490.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1953 | 15.4696 | BLAminus | -123.96, -178.26 | 62.11, 76.94 | -101.1, 26.4 | 286.66, 6.77 | -66.07, -44.8 | in-none | in | 8.9588 | Saltbr-none | 999.0 | HRD-in | -70.01, -50.55 | 63.3, 23.26 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.8072 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiii | APE10-dihe-na | -139.6, 156.23 | APE9-dihe-na | 75.54, -12.58 | APE8-dihe-out | 66.76, 157.7 | APE8-rot-out | 70.35 | APE67-dihe-in | -58.41, -37.99 | -56.68, -49.87 | APE12-dist-in | 13.2106 | APE11-dist-in | 11.101 | APE10-dist-in | 7.9718 | APE9-dist-in | 3.9556 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.217 | 0.271 | D | 326.0 | 277.0 | 25 | 29 | 24 | 5 | [[727, 1020]] | 1.0 | 4un0 | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.2e-84 | 289.2 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| 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 |
|---|