Ligand: RWN

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 8BUPB
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 8BUPB Q9NYV4 715 1027 1490.0 RWN:61101 Type1 Inactive DFGin 7.3764 16.2917 BLAminus -145.67, -178.63 51.5, 56.05 -75.52, 21.8 268.89, 78.21 -77.2, 158.24 in-in in 7.988 Saltbr-in 3.5467 HRD-out -85.14, 78.87 -56.17, -33.42 in-in-in SNCiii in-in ActLoopNT-in 2.9459 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.18, -2.81 APE9-dihe-na -129.4, 158.55 APE8-dihe-in -65.53, 143.29 APE8-rot-in 297.85 APE67-dihe-in -63.16, -33.23 -55.07, -39.7 APE12-dist-in 12.6261 APE11-dist-in 11.3253 APE10-dist-in 6.9551 APE9-dist-in 4.0747 K965R TPO893 TPO893 XRAY 3.41 0.201 0.223 B 344.0 313.0 0 29 29 0 [[727, 1020]] 1.0 8bup 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 8BUPE Q9NYV4 715 1027 1490.0 RWN:61101 Type1 Inactive DFGin 7.3717 15.5461 BLAminus -147.42, 179.7 52.21, 60.23 -77.56, 28.73 281.63, 90.36 -71.43, -13.64 in-in in 8.0342 Saltbr-in 3.2385 HRD-out -86.98, 107.75 -88.22, 168.06 in-in-out SNCiio in-out ActLoopNT-in 2.8945 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiio APE10-dihe-na -126.76, -4.83 APE9-dihe-na -127.6, 153.97 APE8-dihe-in -68.53, 144.26 APE8-rot-out 182.45 APE67-dihe-in -60.96, -31.45 -55.15, -40.88 APE12-dist-in 12.5226 APE11-dist-in 11.3157 APE10-dist-in 6.9568 APE9-dist-out 6.0416 K965R TPO893 TPO893 XRAY 3.41 0.201 0.223 E 344.0 313.0 0 29 29 0 [[727, 1020]] 1.0 8bup 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 8BUPH Q9NYV4 715 1028 1490.0 RWN:61101 Type1 Active DFGin 7.1094 15.4064 BLAminus -147.42, -178.11 55.21, 58.82 -78.24, 30.65 278.56, 80.87 -74.41, -18.78 in-in in 8.0924 Saltbr-in 3.3148 HRD-in -72.38, -49.1 69.31, -11.39 in-in-in SNCiii in-in ActLoopNT-in 3.0338 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.08, -16.8 APE9-dihe-na -129.39, 159.74 APE8-dihe-in -65.11, 144.15 APE8-rot-in 304.17 APE67-dihe-in -60.23, -34.65 -53.66, -41.25 APE12-dist-in 13.3065 APE11-dist-in 10.9767 APE10-dist-in 7.0684 APE9-dist-in 3.5015 K965R TPO893 TPO893 XRAY 3.41 0.201 0.223 H 344.0 314.0 0 29 29 0 [[727, 1020]] 1.0 8bup 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: RWN

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 8BUPB
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 8BUPB Q9NYV4 715 1027 1490.0 RWN:61101 Type1 Inactive DFGin 7.3764 16.2917 BLAminus -145.67, -178.63 51.5, 56.05 -75.52, 21.8 268.89, 78.21 -77.2, 158.24 in-in in 7.988 Saltbr-in 3.5467 HRD-out -85.14, 78.87 -56.17, -33.42 in-in-in SNCiii in-in ActLoopNT-in 2.9459 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.18, -2.81 APE9-dihe-na -129.4, 158.55 APE8-dihe-in -65.53, 143.29 APE8-rot-in 297.85 APE67-dihe-in -63.16, -33.23 -55.07, -39.7 APE12-dist-in 12.6261 APE11-dist-in 11.3253 APE10-dist-in 6.9551 APE9-dist-in 4.0747 K965R TPO893 TPO893 XRAY 3.41 0.201 0.223 B 344.0 313.0 0 29 29 0 [[727, 1020]] 1.0 8bup 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 8BUPE Q9NYV4 715 1027 1490.0 RWN:61101 Type1 Inactive DFGin 7.3717 15.5461 BLAminus -147.42, 179.7 52.21, 60.23 -77.56, 28.73 281.63, 90.36 -71.43, -13.64 in-in in 8.0342 Saltbr-in 3.2385 HRD-out -86.98, 107.75 -88.22, 168.06 in-in-out SNCiio in-out ActLoopNT-in 2.8945 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiio APE10-dihe-na -126.76, -4.83 APE9-dihe-na -127.6, 153.97 APE8-dihe-in -68.53, 144.26 APE8-rot-out 182.45 APE67-dihe-in -60.96, -31.45 -55.15, -40.88 APE12-dist-in 12.5226 APE11-dist-in 11.3157 APE10-dist-in 6.9568 APE9-dist-out 6.0416 K965R TPO893 TPO893 XRAY 3.41 0.201 0.223 E 344.0 313.0 0 29 29 0 [[727, 1020]] 1.0 8bup 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 8BUPH Q9NYV4 715 1028 1490.0 RWN:61101 Type1 Active DFGin 7.1094 15.4064 BLAminus -147.42, -178.11 55.21, 58.82 -78.24, 30.65 278.56, 80.87 -74.41, -18.78 in-in in 8.0924 Saltbr-in 3.3148 HRD-in -72.38, -49.1 69.31, -11.39 in-in-in SNCiii in-in ActLoopNT-in 3.0338 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.08, -16.8 APE9-dihe-na -129.39, 159.74 APE8-dihe-in -65.11, 144.15 APE8-rot-in 304.17 APE67-dihe-in -60.23, -34.65 -53.66, -41.25 APE12-dist-in 13.3065 APE11-dist-in 10.9767 APE10-dist-in 7.0684 APE9-dist-in 3.5015 K965R TPO893 TPO893 XRAY 3.41 0.201 0.223 H 344.0 314.0 0 29 29 0 [[727, 1020]] 1.0 8bup 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: RWN

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