Ligand: RUW

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% 8BUJB
DFGin BLAminus 1 33.3% 8BUJE
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 8BUJE Q9NYV4 715 1043 1490.0 RUW:1101 Type1 Inactive DFGin 7.4026 15.5591 BLAminus -141.86, -179.96 50.47, 61.92 -80.29, 20.39 278.49, 79.05 -71.07, 143.46 in-out in 7.788 Saltbr-out 4.3749 HRD-in -62.58, -56.77 78.09, -0.63 out-in-in SNCoii in-in ActLoopNT-in 3.0989 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.26, -45.94 APE9-dihe-na -81.75, 154.86 APE8-dihe-in -61.95, 146.07 APE8-rot-in 291.01 APE67-dihe-in -60.95, -32.29 -58.05, -37.51 APE12-dist-in 12.7922 APE11-dist-in 12.1761 APE10-dist-in 7.0857 APE9-dist-in 3.4301 K965R TPO893 TPO893 XRAY 3.62 0.164 0.206 E 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8buj 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 8BUJB Q9NYV4 715 1041 1490.0 RUW:1101 Type1 Inactive DFGin 6.983 15.1999 None -129.99, -57.9 -94.94, 86.34 -84.73, 29.33 287.08, 75.1 -66.06, -25.85 in-in in 7.8642 Saltbr-in 2.9459 HRD-in -63.86, -54.33 75.41, -2.11 in-in-out SNCiio in-out ActLoopNT-in 3.0628 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -117.09, -50.74 APE9-dihe-na -90.83, 154.53 APE8-dihe-in -64.5, 148.14 APE8-rot-out 189.98 APE67-dihe-in -60.8, -34.01 -57.18, -38.53 APE12-dist-in 13.2622 APE11-dist-in 11.4247 APE10-dist-in 7.1058 APE9-dist-in 3.5216 K965R TPO893 TPO893 XRAY 3.62 0.164 0.206 B 344.0 327.0 0 29 29 0 [[727, 1020]] 1.0 8buj 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 8BUJH Q9NYV4 715 1043 1490.0 RUW:1101 Type1 Inactive DFGin 6.896 15.0772 None -125.46, -61.45 -96.84, 87.36 -85.01, 26.05 287.54, 74.01 -66.36, -25.41 in-in in 7.8133 Saltbr-in 3.0099 HRD-in -63.78, -55.47 74.76, -1.95 in-in-in SNCiii in-in ActLoopNT-in 2.9668 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.8, -48.82 APE9-dihe-na -90.4, 155.44 APE8-dihe-in -63.14, 147.75 APE8-rot-in 306.89 APE67-dihe-in -59.19, -33.71 -59.17, -40.93 APE12-dist-in 13.546 APE11-dist-in 11.4373 APE10-dist-in 6.9005 APE9-dist-in 3.4536 K965R TPO893 TPO893 XRAY 3.62 0.164 0.206 H 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8buj 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: RUW

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% 8BUJB
DFGin BLAminus 1 33.3% 8BUJE
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 8BUJE Q9NYV4 715 1043 1490.0 RUW:1101 Type1 Inactive DFGin 7.4026 15.5591 BLAminus -141.86, -179.96 50.47, 61.92 -80.29, 20.39 278.49, 79.05 -71.07, 143.46 in-out in 7.788 Saltbr-out 4.3749 HRD-in -62.58, -56.77 78.09, -0.63 out-in-in SNCoii in-in ActLoopNT-in 3.0989 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.26, -45.94 APE9-dihe-na -81.75, 154.86 APE8-dihe-in -61.95, 146.07 APE8-rot-in 291.01 APE67-dihe-in -60.95, -32.29 -58.05, -37.51 APE12-dist-in 12.7922 APE11-dist-in 12.1761 APE10-dist-in 7.0857 APE9-dist-in 3.4301 K965R TPO893 TPO893 XRAY 3.62 0.164 0.206 E 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8buj 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 8BUJB Q9NYV4 715 1041 1490.0 RUW:1101 Type1 Inactive DFGin 6.983 15.1999 None -129.99, -57.9 -94.94, 86.34 -84.73, 29.33 287.08, 75.1 -66.06, -25.85 in-in in 7.8642 Saltbr-in 2.9459 HRD-in -63.86, -54.33 75.41, -2.11 in-in-out SNCiio in-out ActLoopNT-in 3.0628 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -117.09, -50.74 APE9-dihe-na -90.83, 154.53 APE8-dihe-in -64.5, 148.14 APE8-rot-out 189.98 APE67-dihe-in -60.8, -34.01 -57.18, -38.53 APE12-dist-in 13.2622 APE11-dist-in 11.4247 APE10-dist-in 7.1058 APE9-dist-in 3.5216 K965R TPO893 TPO893 XRAY 3.62 0.164 0.206 B 344.0 327.0 0 29 29 0 [[727, 1020]] 1.0 8buj 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 8BUJH Q9NYV4 715 1043 1490.0 RUW:1101 Type1 Inactive DFGin 6.896 15.0772 None -125.46, -61.45 -96.84, 87.36 -85.01, 26.05 287.54, 74.01 -66.36, -25.41 in-in in 7.8133 Saltbr-in 3.0099 HRD-in -63.78, -55.47 74.76, -1.95 in-in-in SNCiii in-in ActLoopNT-in 2.9668 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.8, -48.82 APE9-dihe-na -90.4, 155.44 APE8-dihe-in -63.14, 147.75 APE8-rot-in 306.89 APE67-dihe-in -59.19, -33.71 -59.17, -40.93 APE12-dist-in 13.546 APE11-dist-in 11.4373 APE10-dist-in 6.9005 APE9-dist-in 3.4536 K965R TPO893 TPO893 XRAY 3.62 0.164 0.206 H 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8buj 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: RUW

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