| 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 | 8BURE | Q9NYV4 | 715 | 1040 | 1490.0 | RQU:61101 | Type1 | Inactive | DFGin | 6.8845 | 15.8442 | ABAminus | -134.08, -49.7 | -100.21, 93.56 | -92.36, 24.23 | 284.18, 80.41 | -66.46, -36.08 | in-in | in | 8.2155 | Saltbr-in | 2.802 | HRD-in | -63.9, -48.8 | 70.15, 6.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9274 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -92.25, -40.02 | APE9-dihe-na | -84.05, 150.42 | APE8-dihe-in | -60.84, 144.54 | APE8-rot-out | 183.23 | APE67-dihe-in | -64.31, -32.85 | -49.71, -40.37 | APE12-dist-in | 12.2442 | APE11-dist-in | 11.971 | APE10-dist-in | 6.5332 | APE9-dist-in | 3.8503 | K965R | TPO893 | TPO893 | XRAY | 3.64 | 0.192 | 0.234 | E | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bur | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 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 | 8BURB | Q9NYV4 | 715 | 1044 | 1490.0 | RQU:61101 | Type1 | Inactive | DFGin | 7.0125 | 15.984 | BLAminus | -143.02, -172.66 | 43.3, 72.03 | -94.19, 20.72 | 281.71, 86.88 | -65.05, -33.85 | in-in | in | 8.3112 | Saltbr-in | 3.3362 | HRD-in | -64.7, -53.19 | 72.64, 8.15 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9707 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -98.84, -39.21 | APE9-dihe-na | -79.75, 149.9 | APE8-dihe-in | -61.25, 143.48 | APE8-rot-out | 176.27 | APE67-dihe-in | -64.0, -30.04 | -50.29, -42.66 | APE12-dist-in | 13.2177 | APE11-dist-in | 12.7649 | APE10-dist-in | 7.1593 | APE9-dist-in | 3.4474 | K965R | TPO893 | TPO893 | XRAY | 3.64 | 0.192 | 0.234 | B | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bur | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 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 | 8BURH | Q9NYV4 | 715 | 1039 | 1490.0 | RQU:61101 | Type1 | Inactive | DFGin | 6.7739 | 15.4438 | None | -128.98, -68.65 | -83.3, 94.14 | -94.27, 19.71 | 289.32, 85.87 | -66.64, -31.92 | in-in | in | 8.1448 | Saltbr-in | 2.8791 | HRD-in | -62.95, -51.76 | 69.51, 6.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.108 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -119.35, -54.64 | APE9-dihe-na | -87.35, 151.65 | APE8-dihe-in | -60.57, 144.24 | APE8-rot-out | 76.95 | APE67-dihe-in | -62.32, -33.37 | -50.2, -40.95 | APE12-dist-in | 13.7432 | APE11-dist-in | 11.6616 | APE10-dist-in | 7.0858 | APE9-dist-in | 3.6711 | K965R | TPO893 | TPO893 | XRAY | 3.64 | 0.192 | 0.234 | H | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bur | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 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 | 8BURE | Q9NYV4 | 715 | 1040 | 1490.0 | RQU:61101 | Type1 | Inactive | DFGin | 6.8845 | 15.8442 | ABAminus | -134.08, -49.7 | -100.21, 93.56 | -92.36, 24.23 | 284.18, 80.41 | -66.46, -36.08 | in-in | in | 8.2155 | Saltbr-in | 2.802 | HRD-in | -63.9, -48.8 | 70.15, 6.43 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9274 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -92.25, -40.02 | APE9-dihe-na | -84.05, 150.42 | APE8-dihe-in | -60.84, 144.54 | APE8-rot-out | 183.23 | APE67-dihe-in | -64.31, -32.85 | -49.71, -40.37 | APE12-dist-in | 12.2442 | APE11-dist-in | 11.971 | APE10-dist-in | 6.5332 | APE9-dist-in | 3.8503 | K965R | TPO893 | TPO893 | XRAY | 3.64 | 0.192 | 0.234 | E | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bur | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 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 | 8BURB | Q9NYV4 | 715 | 1044 | 1490.0 | RQU:61101 | Type1 | Inactive | DFGin | 7.0125 | 15.984 | BLAminus | -143.02, -172.66 | 43.3, 72.03 | -94.19, 20.72 | 281.71, 86.88 | -65.05, -33.85 | in-in | in | 8.3112 | Saltbr-in | 3.3362 | HRD-in | -64.7, -53.19 | 72.64, 8.15 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9707 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -98.84, -39.21 | APE9-dihe-na | -79.75, 149.9 | APE8-dihe-in | -61.25, 143.48 | APE8-rot-out | 176.27 | APE67-dihe-in | -64.0, -30.04 | -50.29, -42.66 | APE12-dist-in | 13.2177 | APE11-dist-in | 12.7649 | APE10-dist-in | 7.1593 | APE9-dist-in | 3.4474 | K965R | TPO893 | TPO893 | XRAY | 3.64 | 0.192 | 0.234 | B | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bur | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 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 | 8BURH | Q9NYV4 | 715 | 1039 | 1490.0 | RQU:61101 | Type1 | Inactive | DFGin | 6.7739 | 15.4438 | None | -128.98, -68.65 | -83.3, 94.14 | -94.27, 19.71 | 289.32, 85.87 | -66.64, -31.92 | in-in | in | 8.1448 | Saltbr-in | 2.8791 | HRD-in | -62.95, -51.76 | 69.51, 6.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.108 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -119.35, -54.64 | APE9-dihe-na | -87.35, 151.65 | APE8-dihe-in | -60.57, 144.24 | APE8-rot-out | 76.95 | APE67-dihe-in | -62.32, -33.37 | -50.2, -40.95 | APE12-dist-in | 13.7432 | APE11-dist-in | 11.6616 | APE10-dist-in | 7.0858 | APE9-dist-in | 3.6711 | K965R | TPO893 | TPO893 | XRAY | 3.64 | 0.192 | 0.234 | H | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bur | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 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 |
|---|