Ligand: NS9

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 8P6XJ
DFGin BLBtrans 1 50.0% 3NS9A
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 CDK2 CDK2_HUMAN 3NS9A P24941 3 298 298.0 NS9:0 Type1 Inactive DFGin 10.655 18.344 BLBtrans -104.88, 159.9 69.13, 14.3 -58.32, 131.05 228.88, 99.89 85.42, -14.57 out-out out 15.329 Saltbr-out 15.457 HRD-in -88.02, -56.06 83.3, -13.93 out-out-out SNCooo out-out ActLoopNT-out 5.779 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -72.64, 135.86 APE9-dihe-na -78.78, 127.68 APE8-dihe-in -68.37, 143.21 APE8-rot-out 190.5 APE67-dihe-in -63.73, -24.13 -102.59, -2.72 APE12-dist-out 19.632 APE11-dist-out 17.29 APE10-dist-out 18.722 APE9-dist-out 10.33 None None None XRAY 1.78 0.205 0.265 A 298 289 7 0 0 0 [[4, 286]] 1.0 3ns9 CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK7 CDK7_HUMAN 8P6XJ P50613 10 310 346.0 NS9:60401 Type1 Active DFGin 6.851 14.813 BLAminus -135.05, 178.22 58.13, 67.79 -85.98, 19.26 285.9, 76.96 -64.86, -16.71 in-in in 7.825 Saltbr-in 2.914 HRD-in -71.27, -49.07 64.89, 10.59 in-in-in SNCiii in-in ActLoopNT-in 2.72 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -113.37, 162.4 APE9-dihe-na 67.39, 142.34 APE8-dihe-in -59.13, 147.28 APE8-rot-in 319.82 APE67-dihe-in -62.51, -24.45 -59.1, -40.68 APE12-dist-in 13.227 APE11-dist-in 10.943 APE10-dist-in 6.835 APE9-dist-in 3.218 None None None EM 1.9 999.0 999.0 J 349 287 14 0 0 0 [[12, 295]] 1.0 8p6x CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 1 301 301 154 155 156 158 160 41 62 66 134 136 135 137 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7

Ligand: NS9

Total number of chains: 2
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 8P6XJ
DFGin BLBtrans 1 50.0% 3NS9A
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 CDK2 CDK2_HUMAN 3NS9A P24941 3 298 298.0 NS9:0 Type1 Inactive DFGin 10.655 18.344 BLBtrans -104.88, 159.9 69.13, 14.3 -58.32, 131.05 228.88, 99.89 85.42, -14.57 out-out out 15.329 Saltbr-out 15.457 HRD-in -88.02, -56.06 83.3, -13.93 out-out-out SNCooo out-out ActLoopNT-out 5.779 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -72.64, 135.86 APE9-dihe-na -78.78, 127.68 APE8-dihe-in -68.37, 143.21 APE8-rot-out 190.5 APE67-dihe-in -63.73, -24.13 -102.59, -2.72 APE12-dist-out 19.632 APE11-dist-out 17.29 APE10-dist-out 18.722 APE9-dist-out 10.33 None None None XRAY 1.78 0.205 0.265 A 298 289 7 0 0 0 [[4, 286]] 1.0 3ns9 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK7 CDK7_HUMAN 8P6XJ P50613 10 310 346.0 NS9:60401 Type1 Active DFGin 6.851 14.813 BLAminus -135.05, 178.22 58.13, 67.79 -85.98, 19.26 285.9, 76.96 -64.86, -16.71 in-in in 7.825 Saltbr-in 2.914 HRD-in -71.27, -49.07 64.89, 10.59 in-in-in SNCiii in-in ActLoopNT-in 2.72 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -113.37, 162.4 APE9-dihe-na 67.39, 142.34 APE8-dihe-in -59.13, 147.28 APE8-rot-in 319.82 APE67-dihe-in -62.51, -24.45 -59.1, -40.68 APE12-dist-in 13.227 APE11-dist-in 10.943 APE10-dist-in 6.835 APE9-dist-in 3.218 None None None EM 1.9 999.0 999.0 J 349 287 14 0 0 0 [[12, 295]] 1.0 8p6x Homo sapiens CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 1 301 301 154 155 156 158 160 41 62 66 134 136 135 137 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7

Ligand: NS9

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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