Ligand: RW6

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8BUFB
DFGin BLAminus 1 33.3% 8BUFE
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 8BUFE Q9NYV4 715 1043 1490.0 RW6:61101 Type1 Inactive DFGin 7.2357 15.6133 BLAminus -139.81, -179.98 50.46, 82.76 -97.71, 35.51 286.32, 76.93 -72.96, -20.08 in-in in 8.2072 Saltbr-in 3.0835 HRD-in -73.52, -52.81 75.99, 1.49 in-in-out SNCiio in-out ActLoopNT-in 3.1387 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -94.42, -47.71 APE9-dihe-na -72.58, 149.04 APE8-dihe-in -62.45, 149.79 APE8-rot-out 175.62 APE67-dihe-in -64.49, -29.41 -54.77, -42.48 APE12-dist-in 12.6293 APE11-dist-in 12.3452 APE10-dist-in 6.6156 APE9-dist-in 3.2815 K965R TPO893 TPO893 XRAY 3.3 0.185 0.22 E 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8buf 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 8BUFB Q9NYV4 715 1033 1490.0 RW6:61101 Type1 Inactive DFGin 6.9051 15.6357 None -129.93, -62.21 -79.23, 97.53 -95.7, 37.47 286.05, 76.01 -76.9, -21.74 in-in in 8.1053 Saltbr-in 3.1532 HRD-in -72.11, -52.31 75.51, 2.58 in-in-out SNCiio in-out ActLoopNT-in 2.8864 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -105.68, -63.24 APE9-dihe-na -77.98, 146.57 APE8-dihe-in -61.93, 149.44 APE8-rot-out 186.78 APE67-dihe-in -61.63, -31.53 -53.67, -39.8 APE12-dist-in 13.1702 APE11-dist-in 10.9939 APE10-dist-in 6.5903 APE9-dist-in 3.5503 K965R TPO893 TPO893 XRAY 3.3 0.185 0.22 B 344.0 319.0 0 29 29 0 [[727, 1020]] 1.0 8buf 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 8BUFH Q9NYV4 715 1032 1490.0 RW6:61101 Type1 Inactive DFGin 7.1171 15.5053 None -129.62, -58.72 -84.56, 91.07 -93.16, 33.34 286.36, 76.3 -77.96, -20.03 in-out in 8.1468 Saltbr-out 3.7328 HRD-in -74.59, -54.27 72.47, 1.47 out-in-in SNCoii in-in ActLoopNT-in 2.916 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.36, -62.78 APE9-dihe-na -81.18, 153.72 APE8-dihe-in -60.4, 148.16 APE8-rot-in 306.45 APE67-dihe-in -63.34, -32.17 -56.22, -41.31 APE12-dist-in 13.7169 APE11-dist-in 11.792 APE10-dist-in 7.061 APE9-dist-in 3.3785 K965R TPO893 TPO893 XRAY 3.3 0.185 0.22 H 344.0 318.0 0 29 29 0 [[727, 1020]] 1.0 8buf 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

Ligand: RW6

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8BUFB
DFGin BLAminus 1 33.3% 8BUFE
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 8BUFE Q9NYV4 715 1043 1490.0 RW6:61101 Type1 Inactive DFGin 7.2357 15.6133 BLAminus -139.81, -179.98 50.46, 82.76 -97.71, 35.51 286.32, 76.93 -72.96, -20.08 in-in in 8.2072 Saltbr-in 3.0835 HRD-in -73.52, -52.81 75.99, 1.49 in-in-out SNCiio in-out ActLoopNT-in 3.1387 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -94.42, -47.71 APE9-dihe-na -72.58, 149.04 APE8-dihe-in -62.45, 149.79 APE8-rot-out 175.62 APE67-dihe-in -64.49, -29.41 -54.77, -42.48 APE12-dist-in 12.6293 APE11-dist-in 12.3452 APE10-dist-in 6.6156 APE9-dist-in 3.2815 K965R TPO893 TPO893 XRAY 3.3 0.185 0.22 E 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8buf 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 8BUFB Q9NYV4 715 1033 1490.0 RW6:61101 Type1 Inactive DFGin 6.9051 15.6357 None -129.93, -62.21 -79.23, 97.53 -95.7, 37.47 286.05, 76.01 -76.9, -21.74 in-in in 8.1053 Saltbr-in 3.1532 HRD-in -72.11, -52.31 75.51, 2.58 in-in-out SNCiio in-out ActLoopNT-in 2.8864 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -105.68, -63.24 APE9-dihe-na -77.98, 146.57 APE8-dihe-in -61.93, 149.44 APE8-rot-out 186.78 APE67-dihe-in -61.63, -31.53 -53.67, -39.8 APE12-dist-in 13.1702 APE11-dist-in 10.9939 APE10-dist-in 6.5903 APE9-dist-in 3.5503 K965R TPO893 TPO893 XRAY 3.3 0.185 0.22 B 344.0 319.0 0 29 29 0 [[727, 1020]] 1.0 8buf 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 8BUFH Q9NYV4 715 1032 1490.0 RW6:61101 Type1 Inactive DFGin 7.1171 15.5053 None -129.62, -58.72 -84.56, 91.07 -93.16, 33.34 286.36, 76.3 -77.96, -20.03 in-out in 8.1468 Saltbr-out 3.7328 HRD-in -74.59, -54.27 72.47, 1.47 out-in-in SNCoii in-in ActLoopNT-in 2.916 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.36, -62.78 APE9-dihe-na -81.18, 153.72 APE8-dihe-in -60.4, 148.16 APE8-rot-in 306.45 APE67-dihe-in -63.34, -32.17 -56.22, -41.31 APE12-dist-in 13.7169 APE11-dist-in 11.792 APE10-dist-in 7.061 APE9-dist-in 3.3785 K965R TPO893 TPO893 XRAY 3.3 0.185 0.22 H 344.0 318.0 0 29 29 0 [[727, 1020]] 1.0 8buf 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

Ligand: RW6

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