Ligand: PE3

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 8R9SA
DFGin None 1 50.0% 8R9SB
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 8R9SA P50613 8 312 346.0 PE3:401,PE3:403,YPK:404 Allosteric,Allosteric,Type1 Inactive DFGin 6.8303 14.2839 BLAminus -165.69, -175.97 45.67, 75.58 -92.62, 3.64 268.0, 93.26 -57.82, -22.21 in-in in 8.8637 Saltbr-in 3.4054 HRD-out -94.27, 75.87 -64.42, -8.36 in-in-out SNCiio in-out ActLoopNT-in 2.9103 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_niii APE10-dihe-na -133.05, -48.43 APE9-dihe-na -60.09, 172.76 APE8-dihe-in -90.13, 61.97 APE8-rot-in 341.49 APE67-dihe-out -70.79, -35.04 59.18, -50.38 APE12-dist-none 999.0 APE11-dist-in 12.7236 APE10-dist-in 6.8654 APE9-dist-in 4.0054 W132R,S164D,T170E None None XRAY 2.78 0.24 0.296 A 371.0 289.0 16 28 19 9 [[12, 295]] 1.0 8r9s 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 8R9SB P50613 9 312 346.0 PE3:401,PE3:402,YPK:403 Allosteric,Allosteric,Type1 Inactive DFGin 6.6614 14.1368 None -136.72, -83.07 -78.7, 108.99 -96.75, 5.62 270.16, 92.75 -61.04, -22.45 in-in in 8.9693 Saltbr-in 2.9057 HRD-out -93.55, 75.1 -63.47, -8.59 in-in-out SNCiio in-out ActLoopNT-in 2.9575 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_niii APE10-dihe-na -131.56, -46.56 APE9-dihe-na -57.97, 167.59 APE8-dihe-in -92.57, 68.94 APE8-rot-out 164.5 APE67-dihe-out -70.3, -34.85 61.12, -49.62 APE12-dist-none 999.0 APE11-dist-in 12.5698 APE10-dist-in 6.7414 APE9-dist-in 4.0292 W132R,S164D,T170E None None XRAY 2.78 0.24 0.296 B 371.0 290.0 14 28 19 9 [[12, 295]] 1.0 8r9s 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: PE3

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 8R9SA
DFGin None 1 50.0% 8R9SB
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 8R9SA P50613 8 312 346.0 PE3:401,PE3:403,YPK:404 Allosteric,Allosteric,Type1 Inactive DFGin 6.8303 14.2839 BLAminus -165.69, -175.97 45.67, 75.58 -92.62, 3.64 268.0, 93.26 -57.82, -22.21 in-in in 8.8637 Saltbr-in 3.4054 HRD-out -94.27, 75.87 -64.42, -8.36 in-in-out SNCiio in-out ActLoopNT-in 2.9103 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_niii APE10-dihe-na -133.05, -48.43 APE9-dihe-na -60.09, 172.76 APE8-dihe-in -90.13, 61.97 APE8-rot-in 341.49 APE67-dihe-out -70.79, -35.04 59.18, -50.38 APE12-dist-none 999.0 APE11-dist-in 12.7236 APE10-dist-in 6.8654 APE9-dist-in 4.0054 W132R,S164D,T170E None None XRAY 2.78 0.24 0.296 A 371.0 289.0 16 28 19 9 [[12, 295]] 1.0 8r9s 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 8R9SB P50613 9 312 346.0 PE3:401,PE3:402,YPK:403 Allosteric,Allosteric,Type1 Inactive DFGin 6.6614 14.1368 None -136.72, -83.07 -78.7, 108.99 -96.75, 5.62 270.16, 92.75 -61.04, -22.45 in-in in 8.9693 Saltbr-in 2.9057 HRD-out -93.55, 75.1 -63.47, -8.59 in-in-out SNCiio in-out ActLoopNT-in 2.9575 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_niii APE10-dihe-na -131.56, -46.56 APE9-dihe-na -57.97, 167.59 APE8-dihe-in -92.57, 68.94 APE8-rot-out 164.5 APE67-dihe-out -70.3, -34.85 61.12, -49.62 APE12-dist-none 999.0 APE11-dist-in 12.5698 APE10-dist-in 6.7414 APE9-dist-in 4.0292 W132R,S164D,T170E None None XRAY 2.78 0.24 0.296 B 371.0 290.0 14 28 19 9 [[12, 295]] 1.0 8r9s 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: PE3

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