| 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 | 8BUTB | Q9NYV4 | 715 | 1039 | 1490.0 | RQ5:61101 | Type1 | Inactive | DFGin | 7.0564 | 15.3959 | ABAminus | -130.15, -50.58 | -94.08, 102.79 | -101.3, 34.01 | 287.2, 80.24 | -71.28, -33.81 | in-in | in | 8.1776 | Saltbr-in | 3.454 | HRD-in | -68.35, -50.74 | 72.26, 0.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8548 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -102.11, -52.89 | APE9-dihe-na | -83.71, 152.96 | APE8-dihe-in | -63.18, 146.03 | APE8-rot-out | 183.88 | APE67-dihe-in | -64.84, -30.01 | -53.45, -39.74 | APE12-dist-in | 13.1524 | APE11-dist-in | 11.7525 | APE10-dist-in | 6.8757 | APE9-dist-in | 3.6644 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.198 | 0.217 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8but | 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 | 8BUTH | Q9NYV4 | 715 | 1043 | 1490.0 | RQ5:61101 | Type1 | Inactive | DFGin | 7.0927 | 15.4205 | ABAminus | -128.56, -49.4 | -93.56, 100.15 | -99.66, 30.54 | 282.78, 78.32 | -73.44, -31.71 | in-in | in | 8.0901 | Saltbr-in | 3.5145 | HRD-in | -72.59, -52.14 | 71.01, -0.2 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7456 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -103.31, -52.45 | APE9-dihe-na | -84.96, 155.97 | APE8-dihe-in | -63.11, 145.04 | APE8-rot-in | 301.85 | APE67-dihe-in | -65.27, -28.99 | -54.91, -40.74 | APE12-dist-in | 13.688 | APE11-dist-in | 12.0303 | APE10-dist-in | 7.147 | APE9-dist-in | 3.4886 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.198 | 0.217 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8but | 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 | 8BUTE | Q9NYV4 | 715 | 1039 | 1490.0 | RQ5:61101 | Type1 | Inactive | DFGin | 7.2983 | 15.3231 | BLAminus | -139.51, -178.35 | 41.51, 85.24 | -101.61, 29.69 | 285.9, 80.14 | -70.78, -30.56 | in-in | in | 8.259 | Saltbr-in | 3.086 | HRD-in | -67.79, -50.31 | 72.32, 0.48 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9303 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -100.83, -40.87 | APE9-dihe-na | -77.17, 152.92 | APE8-dihe-in | -63.05, 147.04 | APE8-rot-out | 167.97 | APE67-dihe-in | -65.55, -27.52 | -54.27, -41.89 | APE12-dist-in | 12.9325 | APE11-dist-in | 12.5982 | APE10-dist-in | 6.8078 | APE9-dist-in | 3.452 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.198 | 0.217 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8but | 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 | 8BUTB | Q9NYV4 | 715 | 1039 | 1490.0 | RQ5:61101 | Type1 | Inactive | DFGin | 7.0564 | 15.3959 | ABAminus | -130.15, -50.58 | -94.08, 102.79 | -101.3, 34.01 | 287.2, 80.24 | -71.28, -33.81 | in-in | in | 8.1776 | Saltbr-in | 3.454 | HRD-in | -68.35, -50.74 | 72.26, 0.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8548 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -102.11, -52.89 | APE9-dihe-na | -83.71, 152.96 | APE8-dihe-in | -63.18, 146.03 | APE8-rot-out | 183.88 | APE67-dihe-in | -64.84, -30.01 | -53.45, -39.74 | APE12-dist-in | 13.1524 | APE11-dist-in | 11.7525 | APE10-dist-in | 6.8757 | APE9-dist-in | 3.6644 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.198 | 0.217 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8but | 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 | 8BUTH | Q9NYV4 | 715 | 1043 | 1490.0 | RQ5:61101 | Type1 | Inactive | DFGin | 7.0927 | 15.4205 | ABAminus | -128.56, -49.4 | -93.56, 100.15 | -99.66, 30.54 | 282.78, 78.32 | -73.44, -31.71 | in-in | in | 8.0901 | Saltbr-in | 3.5145 | HRD-in | -72.59, -52.14 | 71.01, -0.2 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7456 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -103.31, -52.45 | APE9-dihe-na | -84.96, 155.97 | APE8-dihe-in | -63.11, 145.04 | APE8-rot-in | 301.85 | APE67-dihe-in | -65.27, -28.99 | -54.91, -40.74 | APE12-dist-in | 13.688 | APE11-dist-in | 12.0303 | APE10-dist-in | 7.147 | APE9-dist-in | 3.4886 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.198 | 0.217 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8but | 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 | 8BUTE | Q9NYV4 | 715 | 1039 | 1490.0 | RQ5:61101 | Type1 | Inactive | DFGin | 7.2983 | 15.3231 | BLAminus | -139.51, -178.35 | 41.51, 85.24 | -101.61, 29.69 | 285.9, 80.14 | -70.78, -30.56 | in-in | in | 8.259 | Saltbr-in | 3.086 | HRD-in | -67.79, -50.31 | 72.32, 0.48 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9303 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -100.83, -40.87 | APE9-dihe-na | -77.17, 152.92 | APE8-dihe-in | -63.05, 147.04 | APE8-rot-out | 167.97 | APE67-dihe-in | -65.55, -27.52 | -54.27, -41.89 | APE12-dist-in | 12.9325 | APE11-dist-in | 12.5982 | APE10-dist-in | 6.8078 | APE9-dist-in | 3.452 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.198 | 0.217 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8but | 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 |
|---|