Ligand: RR9

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% 8BUHB
DFGin BLAminus 1 33.3% 8BUHE
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 8BUHE Q9NYV4 715 1034 1490.0 RR9:61101 Type1 Inactive DFGin 7.1857 15.7288 BLAminus -148.68, -172.98 46.52, 61.7 -84.29, 18.93 287.47, 71.85 -64.36, -25.08 in-in in 8.2922 Saltbr-in 3.1458 HRD-in -67.53, -47.52 70.08, 2.73 in-in-out SNCiio in-out ActLoopNT-in 2.9549 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -76.87, -40.28 APE9-dihe-na -73.29, 157.3 APE8-dihe-in -67.11, 147.48 APE8-rot-out 173.32 APE67-dihe-in -62.13, -36.27 -57.69, -39.06 APE12-dist-in 13.3694 APE11-dist-in 12.874 APE10-dist-in 7.0861 APE9-dist-in 3.4867 K965R TPO893 TPO893 XRAY 3.79 0.189 0.232 E 344.0 320.0 0 29 29 0 [[727, 1020]] 1.0 8buh 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 8BUHB Q9NYV4 715 1039 1490.0 RR9:61101 Type1 Inactive DFGin 7.1787 15.539 None -138.13, -51.2 -84.38, 89.05 -94.33, 22.38 291.72, 70.83 -65.07, -27.18 in-in in 8.1562 Saltbr-in 3.1703 HRD-in -65.3, -52.38 69.31, 6.78 in-in-out SNCiio in-out ActLoopNT-in 2.9184 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -73.08, -42.42 APE9-dihe-na -75.03, 155.7 APE8-dihe-in -68.77, 151.86 APE8-rot-out 184.25 APE67-dihe-in -61.51, -37.69 -56.24, -40.88 APE12-dist-in 12.2995 APE11-dist-in 11.9854 APE10-dist-in 6.1967 APE9-dist-in 3.6729 K965R TPO893 TPO893 XRAY 3.79 0.189 0.232 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8buh 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 8BUHH Q9NYV4 715 1033 1490.0 RR9:61101 Type1 Inactive DFGin 6.8874 15.2204 None -138.17, -50.63 -86.02, 83.59 -88.15, 19.63 292.55, 71.89 -63.06, -22.61 in-in in 8.184 Saltbr-in 2.9431 HRD-in -66.24, -47.16 69.47, -1.27 in-in-out SNCiio in-out ActLoopNT-in 3.0446 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -73.8, -40.23 APE9-dihe-na -75.94, 158.01 APE8-dihe-in -67.45, 146.95 APE8-rot-out 179.42 APE67-dihe-in -59.63, -39.48 -58.91, -41.72 APE12-dist-in 13.2298 APE11-dist-in 12.4677 APE10-dist-in 6.767 APE9-dist-in 3.3762 K965R TPO893 TPO893 XRAY 3.79 0.189 0.232 H 344.0 319.0 0 29 29 0 [[727, 1020]] 1.0 8buh 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: RR9

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% 8BUHB
DFGin BLAminus 1 33.3% 8BUHE
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 8BUHE Q9NYV4 715 1034 1490.0 RR9:61101 Type1 Inactive DFGin 7.1857 15.7288 BLAminus -148.68, -172.98 46.52, 61.7 -84.29, 18.93 287.47, 71.85 -64.36, -25.08 in-in in 8.2922 Saltbr-in 3.1458 HRD-in -67.53, -47.52 70.08, 2.73 in-in-out SNCiio in-out ActLoopNT-in 2.9549 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -76.87, -40.28 APE9-dihe-na -73.29, 157.3 APE8-dihe-in -67.11, 147.48 APE8-rot-out 173.32 APE67-dihe-in -62.13, -36.27 -57.69, -39.06 APE12-dist-in 13.3694 APE11-dist-in 12.874 APE10-dist-in 7.0861 APE9-dist-in 3.4867 K965R TPO893 TPO893 XRAY 3.79 0.189 0.232 E 344.0 320.0 0 29 29 0 [[727, 1020]] 1.0 8buh 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 8BUHB Q9NYV4 715 1039 1490.0 RR9:61101 Type1 Inactive DFGin 7.1787 15.539 None -138.13, -51.2 -84.38, 89.05 -94.33, 22.38 291.72, 70.83 -65.07, -27.18 in-in in 8.1562 Saltbr-in 3.1703 HRD-in -65.3, -52.38 69.31, 6.78 in-in-out SNCiio in-out ActLoopNT-in 2.9184 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -73.08, -42.42 APE9-dihe-na -75.03, 155.7 APE8-dihe-in -68.77, 151.86 APE8-rot-out 184.25 APE67-dihe-in -61.51, -37.69 -56.24, -40.88 APE12-dist-in 12.2995 APE11-dist-in 11.9854 APE10-dist-in 6.1967 APE9-dist-in 3.6729 K965R TPO893 TPO893 XRAY 3.79 0.189 0.232 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8buh 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 8BUHH Q9NYV4 715 1033 1490.0 RR9:61101 Type1 Inactive DFGin 6.8874 15.2204 None -138.17, -50.63 -86.02, 83.59 -88.15, 19.63 292.55, 71.89 -63.06, -22.61 in-in in 8.184 Saltbr-in 2.9431 HRD-in -66.24, -47.16 69.47, -1.27 in-in-out SNCiio in-out ActLoopNT-in 3.0446 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -73.8, -40.23 APE9-dihe-na -75.94, 158.01 APE8-dihe-in -67.45, 146.95 APE8-rot-out 179.42 APE67-dihe-in -59.63, -39.48 -58.91, -41.72 APE12-dist-in 13.2298 APE11-dist-in 12.4677 APE10-dist-in 6.767 APE9-dist-in 3.3762 K965R TPO893 TPO893 XRAY 3.79 0.189 0.232 H 344.0 319.0 0 29 29 0 [[727, 1020]] 1.0 8buh 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: RR9

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