Ligand: YN3

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8R9OB
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 CDK7 CDK7_HUMAN 8R9OA P50613 10 312 346.0 YN3:401 Type1 Inactive DFGin 7.0103 15.1055 BLAminus -129.64, 158.52 74.99, 81.61 -97.15, 34.08 294.95, 72.01 -80.74, -26.65 in-in in 9.6207 Saltbr-in 3.4677 HRD-in -72.69, -50.65 63.96, 5.37 in-in-out SNCiio in-out ActLoopNT-in 2.8558 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 161.09 APE8-dihe-in -60.01, 150.23 APE8-rot-out 191.14 APE67-dihe-in -78.31, -17.17 -45.46, -39.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.342 W132R,S164D,T170E None None XRAY 2.22 0.258 0.344 A 371.0 276.0 27 28 18 10 [[12, 295]] 1.0 8r9o CMGC_CDK7_HUMAN CMGC 7.3e-78 269.6 1.0 301.0 301.0 154 155 156 158 160 41 62 66 134 136 135 137.0 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7
CMGC CDK7 CDK7_HUMAN 8R9OB P50613 10 312 346.0 YN3:401 Type1 Inactive DFGin 7.0408 14.9972 BLAminus -138.7, 164.71 67.98, 80.71 -96.95, 34.33 295.63, 72.58 -80.3, -27.44 in-out in 9.4848 Saltbr-out 4.2905 HRD-in -72.39, -52.21 67.37, 12.01 out-in-out SNCoio in-out ActLoopNT-in 2.9925 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooi APE10-dihe-na -159.84, 152.31 APE9-dihe-na -62.33, 160.72 APE8-dihe-in -60.74, 151.56 APE8-rot-out 191.25 APE67-dihe-in -79.05, -16.21 -45.43, -40.81 APE12-dist-none 999.0 APE11-dist-out 5.5997 APE10-dist-out 8.982 APE9-dist-in 3.4702 W132R,S164D,T170E None None XRAY 2.22 0.258 0.344 B 371.0 284.0 19 28 23 5 [[12, 295]] 1.0 8r9o CMGC_CDK7_HUMAN CMGC 7.3e-78 269.6 1.0 301.0 301.0 154 155 156 158 160 41 62 66 134 136 135 137.0 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7

Ligand: YN3

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8R9OB
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 CDK7 CDK7_HUMAN 8R9OA P50613 10 312 346.0 YN3:401 Type1 Inactive DFGin 7.0103 15.1055 BLAminus -129.64, 158.52 74.99, 81.61 -97.15, 34.08 294.95, 72.01 -80.74, -26.65 in-in in 9.6207 Saltbr-in 3.4677 HRD-in -72.69, -50.65 63.96, 5.37 in-in-out SNCiio in-out ActLoopNT-in 2.8558 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 161.09 APE8-dihe-in -60.01, 150.23 APE8-rot-out 191.14 APE67-dihe-in -78.31, -17.17 -45.46, -39.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.342 W132R,S164D,T170E None None XRAY 2.22 0.258 0.344 A 371.0 276.0 27 28 18 10 [[12, 295]] 1.0 8r9o Homo sapiens CMGC_CDK7_HUMAN CMGC 7.3e-78 269.6 1.0 301.0 301.0 154 155 156 158 160 41 62 66 134 136 135 137.0 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7
CMGC CDK7 CDK7_HUMAN 8R9OB P50613 10 312 346.0 YN3:401 Type1 Inactive DFGin 7.0408 14.9972 BLAminus -138.7, 164.71 67.98, 80.71 -96.95, 34.33 295.63, 72.58 -80.3, -27.44 in-out in 9.4848 Saltbr-out 4.2905 HRD-in -72.39, -52.21 67.37, 12.01 out-in-out SNCoio in-out ActLoopNT-in 2.9925 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooi APE10-dihe-na -159.84, 152.31 APE9-dihe-na -62.33, 160.72 APE8-dihe-in -60.74, 151.56 APE8-rot-out 191.25 APE67-dihe-in -79.05, -16.21 -45.43, -40.81 APE12-dist-none 999.0 APE11-dist-out 5.5997 APE10-dist-out 8.982 APE9-dist-in 3.4702 W132R,S164D,T170E None None XRAY 2.22 0.258 0.344 B 371.0 284.0 19 28 23 5 [[12, 295]] 1.0 8r9o Homo sapiens CMGC_CDK7_HUMAN CMGC 7.3e-78 269.6 1.0 301.0 301.0 154 155 156 158 160 41 62 66 134 136 135 137.0 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7

Ligand: YN3

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