Ligand: I73

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 8P77J
DFGin BLBtrans 1 50.0% 5JQ8A
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 CDK2 CDK2_HUMAN 5JQ8A P24941 3 298 298.0 I73:301 Type1 Inactive DFGin 10.5835 18.3454 BLBtrans -111.9, 145.9 71.11, 24.04 -62.19, 135.44 225.71, 101.49 76.75, -12.86 out-out out 15.0691 Saltbr-out 16.4944 HRD-in -81.24, -58.14 82.22, -19.75 out-out-out SNCooo out-out ActLoopNT-out 6.0361 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -72.45, 129.84 APE9-dihe-na -73.44, 132.24 APE8-dihe-in -75.97, 146.79 APE8-rot-out 187.32 APE67-dihe-in -56.28, -25.19 -112.71, -4.11 APE12-dist-none 999.0 APE11-dist-out 17.1472 APE10-dist-out 19.0941 APE9-dist-out 10.404 None None None XRAY 1.94 0.197 0.26 A 298.0 278.0 18 28 19 9 [[4, 286]] 1.0 5jq8 CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK7 CDK7_HUMAN 8P77J P50613 10 310 346.0 I73:60401 Type1 Inactive DFGin 6.7417 15.2698 BLAminus -132.45, -179.7 57.66, 63.66 -82.64, 21.59 281.33, 71.76 -68.21, -17.73 in-out in 8.0836 Saltbr-out 3.6728 HRD-in -69.39, -48.98 63.26, 11.42 out-in-in SNCoii in-in ActLoopNT-in 2.7279 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -81.35, 165.5 APE9-dihe-na 68.99, 138.58 APE8-dihe-in -57.94, 141.68 APE8-rot-in 287.47 APE67-dihe-in -62.3, -27.5 -54.83, -40.88 APE12-dist-in 13.3459 APE11-dist-in 10.9098 APE10-dist-in 6.69 APE9-dist-in 3.3154 None None None EM 1.8 999.0 999.0 J 349.0 286.0 15 28 28 0 [[12, 295]] 1.0 8p77 CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 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: I73

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 8P77J
DFGin BLBtrans 1 50.0% 5JQ8A
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 CDK2 CDK2_HUMAN 5JQ8A P24941 3 298 298.0 I73:301 Type1 Inactive DFGin 10.5835 18.3454 BLBtrans -111.9, 145.9 71.11, 24.04 -62.19, 135.44 225.71, 101.49 76.75, -12.86 out-out out 15.0691 Saltbr-out 16.4944 HRD-in -81.24, -58.14 82.22, -19.75 out-out-out SNCooo out-out ActLoopNT-out 6.0361 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -72.45, 129.84 APE9-dihe-na -73.44, 132.24 APE8-dihe-in -75.97, 146.79 APE8-rot-out 187.32 APE67-dihe-in -56.28, -25.19 -112.71, -4.11 APE12-dist-none 999.0 APE11-dist-out 17.1472 APE10-dist-out 19.0941 APE9-dist-out 10.404 None None None XRAY 1.94 0.197 0.26 A 298.0 278.0 18 28 19 9 [[4, 286]] 1.0 5jq8 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK7 CDK7_HUMAN 8P77J P50613 10 310 346.0 I73:60401 Type1 Inactive DFGin 6.7417 15.2698 BLAminus -132.45, -179.7 57.66, 63.66 -82.64, 21.59 281.33, 71.76 -68.21, -17.73 in-out in 8.0836 Saltbr-out 3.6728 HRD-in -69.39, -48.98 63.26, 11.42 out-in-in SNCoii in-in ActLoopNT-in 2.7279 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -81.35, 165.5 APE9-dihe-na 68.99, 138.58 APE8-dihe-in -57.94, 141.68 APE8-rot-in 287.47 APE67-dihe-in -62.3, -27.5 -54.83, -40.88 APE12-dist-in 13.3459 APE11-dist-in 10.9098 APE10-dist-in 6.69 APE9-dist-in 3.3154 None None None EM 1.8 999.0 999.0 J 349.0 286.0 15 28 28 0 [[12, 295]] 1.0 8p77 Homo sapiens CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 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: I73

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