Ligand: 5I1

Total number of chains: 4
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7NXJC
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 5ACBC Q9NYV4 716 1040 1490.0 5I1:2000 Type1 Inactive DFGin 7.4424 15.98 BLAminus -120.77, 171.13 69.09, 68.44 -91.07, 27.42 288.67, 78.45 -57.05, -52.5 in-in in 8.3689 Saltbr-in 2.8783 HRD-in -75.39, -52.07 67.69, 20.88 in-in-out SNCiio in-out ActLoopNT-in 2.8043 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -135.05, 158.72 APE9-dihe-na 71.72, 133.31 APE8-dihe-in -62.63, 141.8 APE8-rot-out 192.05 APE67-dihe-in -62.93, -27.37 -47.97, -41.23 APE12-dist-in 13.6417 APE11-dist-in 11.6664 APE10-dist-in 7.3938 APE9-dist-in 3.5299 None TPO893 TPO893 XRAY 2.7 0.223 0.262 C 340.0 325.0 0 29 29 0 [[727, 1020]] 1.0 5acb CMGC_CDK12_HUMAN CMGC 2.6e-84 289.0 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 5ACBD Q9NYV4 718 1044 1490.0 5I1:2000 Type1 Inactive DFGin 7.4517 16.0111 BLAminus -121.14, 171.65 68.87, 69.17 -92.34, 27.19 288.77, 78.24 -58.4, -50.08 in-in in 8.349 Saltbr-in 2.8748 HRD-in -75.87, -51.87 67.36, 21.14 in-in-out SNCiio in-out ActLoopNT-in 2.8109 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.18, 158.62 APE9-dihe-na 71.07, 133.26 APE8-dihe-in -63.22, 142.55 APE8-rot-out 191.44 APE67-dihe-in -63.33, -26.97 -48.15, -41.58 APE12-dist-in 13.6981 APE11-dist-in 11.7681 APE10-dist-in 7.4862 APE9-dist-in 3.5674 None TPO893 TPO893 XRAY 2.7 0.223 0.262 D 340.0 320.0 7 29 26 3 [[727, 1020]] 1.0 5acb CMGC_CDK12_HUMAN CMGC 2.6e-84 289.0 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 CDK13 CDK13_HUMAN 7NXJA Q14004 695 1023 1512.0 5I1:2000 Type1 Inactive DFGin 7.1995 15.5827 BLAminus -134.09, -176.97 62.33, 67.41 -91.23, 15.9 287.67, 81.13 -61.73, -37.78 in-in in 8.4987 Saltbr-in 2.9633 HRD-in -79.65, -52.24 63.53, 20.59 in-in-out SNCiio in-out ActLoopNT-in 2.9932 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -114.51, -45.98 APE9-dihe-na -99.77, 146.08 APE8-dihe-in -57.95, 147.47 APE8-rot-out 187.04 APE67-dihe-in -68.92, -17.49 -56.75, -40.95 APE12-dist-in 13.5152 APE11-dist-in 11.7029 APE10-dist-in 7.3668 APE9-dist-in 3.798 None TPO871 TPO871 XRAY 2.36 0.213 0.252 A 347.0 325.0 4 29 29 0 [[705, 998]] 1.0 7nxj CMGC_CDK13_HUMAN CMGC 2.2e-85 292.5 1.0 301.0 301.0 854 855 856 858 860 734 752 756 834 836 835 837.0 896 883 878 877 876 875 874 873 872 792 Cyclin-dependent kinase 13
CMGC CDK13 CDK13_HUMAN 7NXJC Q14004 695 1017 1512.0 5I1:2000 Type1 Active DFGin 6.9616 15.6056 BLAminus -133.72, -176.86 62.66, 68.43 -91.28, 15.65 287.66, 80.69 -61.23, -36.99 in-in in 8.403 Saltbr-in 3.2991 HRD-in -78.08, -51.61 66.62, 18.24 in-in-in SNCiii in-in ActLoopNT-in 2.9184 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -116.98, -45.56 APE9-dihe-na -98.56, 148.39 APE8-dihe-in -56.05, 143.73 APE8-rot-in 289.62 APE67-dihe-in -68.25, -18.22 -57.66, -40.3 APE12-dist-in 13.4864 APE11-dist-in 11.4851 APE10-dist-in 7.2909 APE9-dist-in 3.5888 None TPO871 TPO871 XRAY 2.36 0.213 0.252 C 347.0 323.0 0 29 29 0 [[705, 998]] 1.0 7nxj CMGC_CDK13_HUMAN CMGC 2.2e-85 292.5 1.0 301.0 301.0 854 855 856 858 860 734 752 756 834 836 835 837.0 896 883 878 877 876 875 874 873 872 792 Cyclin-dependent kinase 13

Ligand: 5I1

Total number of chains: 4
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7NXJC
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 5ACBC Q9NYV4 716 1040 1490.0 5I1:2000 Type1 Inactive DFGin 7.4424 15.98 BLAminus -120.77, 171.13 69.09, 68.44 -91.07, 27.42 288.67, 78.45 -57.05, -52.5 in-in in 8.3689 Saltbr-in 2.8783 HRD-in -75.39, -52.07 67.69, 20.88 in-in-out SNCiio in-out ActLoopNT-in 2.8043 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -135.05, 158.72 APE9-dihe-na 71.72, 133.31 APE8-dihe-in -62.63, 141.8 APE8-rot-out 192.05 APE67-dihe-in -62.93, -27.37 -47.97, -41.23 APE12-dist-in 13.6417 APE11-dist-in 11.6664 APE10-dist-in 7.3938 APE9-dist-in 3.5299 None TPO893 TPO893 XRAY 2.7 0.223 0.262 C 340.0 325.0 0 29 29 0 [[727, 1020]] 1.0 5acb Homo sapiens CMGC_CDK12_HUMAN CMGC 2.6e-84 289.0 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 5ACBD Q9NYV4 718 1044 1490.0 5I1:2000 Type1 Inactive DFGin 7.4517 16.0111 BLAminus -121.14, 171.65 68.87, 69.17 -92.34, 27.19 288.77, 78.24 -58.4, -50.08 in-in in 8.349 Saltbr-in 2.8748 HRD-in -75.87, -51.87 67.36, 21.14 in-in-out SNCiio in-out ActLoopNT-in 2.8109 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.18, 158.62 APE9-dihe-na 71.07, 133.26 APE8-dihe-in -63.22, 142.55 APE8-rot-out 191.44 APE67-dihe-in -63.33, -26.97 -48.15, -41.58 APE12-dist-in 13.6981 APE11-dist-in 11.7681 APE10-dist-in 7.4862 APE9-dist-in 3.5674 None TPO893 TPO893 XRAY 2.7 0.223 0.262 D 340.0 320.0 7 29 26 3 [[727, 1020]] 1.0 5acb Homo sapiens CMGC_CDK12_HUMAN CMGC 2.6e-84 289.0 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 CDK13 CDK13_HUMAN 7NXJA Q14004 695 1023 1512.0 5I1:2000 Type1 Inactive DFGin 7.1995 15.5827 BLAminus -134.09, -176.97 62.33, 67.41 -91.23, 15.9 287.67, 81.13 -61.73, -37.78 in-in in 8.4987 Saltbr-in 2.9633 HRD-in -79.65, -52.24 63.53, 20.59 in-in-out SNCiio in-out ActLoopNT-in 2.9932 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -114.51, -45.98 APE9-dihe-na -99.77, 146.08 APE8-dihe-in -57.95, 147.47 APE8-rot-out 187.04 APE67-dihe-in -68.92, -17.49 -56.75, -40.95 APE12-dist-in 13.5152 APE11-dist-in 11.7029 APE10-dist-in 7.3668 APE9-dist-in 3.798 None TPO871 TPO871 XRAY 2.36 0.213 0.252 A 347.0 325.0 4 29 29 0 [[705, 998]] 1.0 7nxj Homo sapiens CMGC_CDK13_HUMAN CMGC 2.2e-85 292.5 1.0 301.0 301.0 854 855 856 858 860 734 752 756 834 836 835 837.0 896 883 878 877 876 875 874 873 872 792 Cyclin-dependent kinase 13
CMGC CDK13 CDK13_HUMAN 7NXJC Q14004 695 1017 1512.0 5I1:2000 Type1 Active DFGin 6.9616 15.6056 BLAminus -133.72, -176.86 62.66, 68.43 -91.28, 15.65 287.66, 80.69 -61.23, -36.99 in-in in 8.403 Saltbr-in 3.2991 HRD-in -78.08, -51.61 66.62, 18.24 in-in-in SNCiii in-in ActLoopNT-in 2.9184 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -116.98, -45.56 APE9-dihe-na -98.56, 148.39 APE8-dihe-in -56.05, 143.73 APE8-rot-in 289.62 APE67-dihe-in -68.25, -18.22 -57.66, -40.3 APE12-dist-in 13.4864 APE11-dist-in 11.4851 APE10-dist-in 7.2909 APE9-dist-in 3.5888 None TPO871 TPO871 XRAY 2.36 0.213 0.252 C 347.0 323.0 0 29 29 0 [[705, 998]] 1.0 7nxj Homo sapiens CMGC_CDK13_HUMAN CMGC 2.2e-85 292.5 1.0 301.0 301.0 854 855 856 858 860 734 752 756 834 836 835 837.0 896 883 878 877 876 875 874 873 872 792 Cyclin-dependent kinase 13

Ligand: 5I1

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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