Ligand: RMX

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BUSH
DFGin BLAminus 1 33.3% 8BUSB
DFGin None 1 33.3% 8BUSE
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 8BUSH Q9NYV4 715 1044 1490.0 RMX:1101 Type1 Inactive DFGin 6.901 15.0688 ABAminus -143.82, 12.24 -131.03, 98.54 -110.73, 33.01 294.28, 70.2 -74.22, -18.61 in-in in 7.9468 Saltbr-in 3.1237 HRD-in -74.26, -49.18 68.04, 9.28 in-in-in SNCiii in-in ActLoopNT-in 2.8467 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -102.73, -48.18 APE9-dihe-na -92.8, 152.41 APE8-dihe-in -59.01, 141.68 APE8-rot-in 303.45 APE67-dihe-in -64.79, -31.26 -52.5, -37.48 APE12-dist-in 13.6606 APE11-dist-in 11.9862 APE10-dist-in 7.1999 APE9-dist-in 3.7373 K965R TPO893 TPO893 XRAY 3.26 0.209 0.228 H 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8bus 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 8BUSB Q9NYV4 715 1039 1490.0 RMX:1101 Type1 Inactive DFGin 7.0766 15.7189 BLAminus -138.42, 166.28 73.44, 73.47 -93.1, 22.82 287.17, 80.09 -62.57, -33.79 in-in in 8.5069 Saltbr-in 3.3151 HRD-in -69.35, -51.21 75.34, 13.48 in-in-out SNCiio in-out ActLoopNT-in 3.0197 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -86.75, -38.52 APE9-dihe-na -91.11, 154.59 APE8-dihe-in -64.35, 150.44 APE8-rot-out 197.48 APE67-dihe-in -56.11, -29.02 -59.98, -43.72 APE12-dist-in 12.9904 APE11-dist-in 12.5587 APE10-dist-in 6.9784 APE9-dist-in 3.8707 K965R TPO893 TPO893 XRAY 3.26 0.209 0.228 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bus 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 8BUSE Q9NYV4 715 1043 1490.0 RMX:1101 Type1 Inactive DFGin 6.7257 15.8693 None -132.84, -50.43 -84.41, 82.25 -87.45, 22.35 281.7, 77.83 -63.73, -33.79 in-in in 8.1583 Saltbr-in 3.2823 HRD-in -70.71, -48.94 71.36, 12.53 in-in-out SNCiio in-out ActLoopNT-in 2.9956 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -96.11, -47.21 APE9-dihe-na -97.32, 150.19 APE8-dihe-in -67.32, 151.1 APE8-rot-out 195.8 APE67-dihe-in -58.67, -27.66 -56.54, -42.34 APE12-dist-in 13.2846 APE11-dist-in 11.3926 APE10-dist-in 7.3398 APE9-dist-in 3.4564 K965R TPO893 TPO893 XRAY 3.26 0.209 0.228 E 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8bus 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: RMX

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BUSH
DFGin BLAminus 1 33.3% 8BUSB
DFGin None 1 33.3% 8BUSE
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 8BUSH Q9NYV4 715 1044 1490.0 RMX:1101 Type1 Inactive DFGin 6.901 15.0688 ABAminus -143.82, 12.24 -131.03, 98.54 -110.73, 33.01 294.28, 70.2 -74.22, -18.61 in-in in 7.9468 Saltbr-in 3.1237 HRD-in -74.26, -49.18 68.04, 9.28 in-in-in SNCiii in-in ActLoopNT-in 2.8467 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -102.73, -48.18 APE9-dihe-na -92.8, 152.41 APE8-dihe-in -59.01, 141.68 APE8-rot-in 303.45 APE67-dihe-in -64.79, -31.26 -52.5, -37.48 APE12-dist-in 13.6606 APE11-dist-in 11.9862 APE10-dist-in 7.1999 APE9-dist-in 3.7373 K965R TPO893 TPO893 XRAY 3.26 0.209 0.228 H 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8bus 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 8BUSB Q9NYV4 715 1039 1490.0 RMX:1101 Type1 Inactive DFGin 7.0766 15.7189 BLAminus -138.42, 166.28 73.44, 73.47 -93.1, 22.82 287.17, 80.09 -62.57, -33.79 in-in in 8.5069 Saltbr-in 3.3151 HRD-in -69.35, -51.21 75.34, 13.48 in-in-out SNCiio in-out ActLoopNT-in 3.0197 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -86.75, -38.52 APE9-dihe-na -91.11, 154.59 APE8-dihe-in -64.35, 150.44 APE8-rot-out 197.48 APE67-dihe-in -56.11, -29.02 -59.98, -43.72 APE12-dist-in 12.9904 APE11-dist-in 12.5587 APE10-dist-in 6.9784 APE9-dist-in 3.8707 K965R TPO893 TPO893 XRAY 3.26 0.209 0.228 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bus 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 8BUSE Q9NYV4 715 1043 1490.0 RMX:1101 Type1 Inactive DFGin 6.7257 15.8693 None -132.84, -50.43 -84.41, 82.25 -87.45, 22.35 281.7, 77.83 -63.73, -33.79 in-in in 8.1583 Saltbr-in 3.2823 HRD-in -70.71, -48.94 71.36, 12.53 in-in-out SNCiio in-out ActLoopNT-in 2.9956 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -96.11, -47.21 APE9-dihe-na -97.32, 150.19 APE8-dihe-in -67.32, 151.1 APE8-rot-out 195.8 APE67-dihe-in -58.67, -27.66 -56.54, -42.34 APE12-dist-in 13.2846 APE11-dist-in 11.3926 APE10-dist-in 7.3398 APE9-dist-in 3.4564 K965R TPO893 TPO893 XRAY 3.26 0.209 0.228 E 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8bus 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: RMX

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