Ligand: YNK

Total number of chains: 4
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9GLAA
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 9GLAA P24941 2 294 298.0 YNK:301 Type1 Active DFGin 6.5769 15.5142 BLAminus -128.21, 178.66 58.88, 75.5 -98.38, 16.76 279.06, 75.03 -64.26, -28.43 in-in in 8.7109 Saltbr-in 3.5979 HRD-in -78.33, -59.03 76.12, 9.43 in-in-in SNCiii in-in ActLoopNT-in 2.9757 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.31, 151.55 APE9-dihe-na 71.55, 133.57 APE8-dihe-in -59.31, 146.48 APE8-rot-in 291.51 APE67-dihe-in -64.58, -21.93 -51.88, -49.99 APE12-dist-in 13.0096 APE11-dist-in 10.3227 APE10-dist-in 7.2562 APE9-dist-in 3.4171 E8D,K9F,I10L,T14Q,Y15F,V64I,L83M,H84E,Q85T,K88E,K89V,Q131N TPO160 TPO160 XRAY 2.18 0.203 0.249 A 298.0 292.0 1 28 28 0 [[4, 286]] 1.0 9gla CMGC_CDK2_HUMAN CMGC 8.4e-88 300.9 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 8R9UA P50613 10 311 346.0 YNK:401 Type1 Inactive DFGin 6.9951 14.8189 BLAminus -136.34, 177.25 64.26, 71.88 -94.29, 35.4 287.51, 80.17 -88.88, -17.75 in-in in 7.6675 Saltbr-in 3.0978 HRD-in -70.29, -39.89 54.29, 18.68 in-in-out SNCiio in-out ActLoopNT-in 2.9399 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, 95.99 APE9-dihe-na -33.61, 162.87 APE8-dihe-in -57.31, 147.69 APE8-rot-out 184.84 APE67-dihe-in -64.25, -23.63 -55.57, -38.7 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.4547 APE9-dist-in 3.4208 W132R,S164D,T170E None None XRAY 1.937 0.278 0.34 A 371.0 282.0 20 28 22 6 [[12, 295]] 1.0 8r9u 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 8R9UB P50613 10 311 346.0 YNK:401 Type1 Inactive DFGin 7.1496 14.7787 BLAminus -129.44, 175.01 67.08, 73.42 -94.57, 34.81 287.86, 79.6 -89.74, -17.02 in-in in 8.0316 Saltbr-in 2.9706 HRD-in -66.25, -52.35 71.96, 8.72 in-in-out SNCiio in-out ActLoopNT-in 2.8138 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, 137.47 APE9-dihe-na -49.58, 159.48 APE8-dihe-in -61.33, 140.09 APE8-rot-out 190.38 APE67-dihe-in -65.39, -24.05 -38.15, -47.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.1568 APE9-dist-in 3.5728 W132R,S164D,T170E None None XRAY 1.937 0.278 0.34 B 371.0 282.0 20 28 22 6 [[12, 295]] 1.0 8r9u 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 8S0TJ P50613 10 310 346.0 YNK:401 Type1 Active DFGin 7.0364 15.1535 BLAminus -155.14, 160.15 71.15, 63.8 -77.32, 14.33 280.99, 80.55 -67.17, -20.96 in-in in 7.5469 Saltbr-in 3.0691 HRD-in -68.72, -39.05 53.9, 20.09 in-in-in SNCiii in-in ActLoopNT-in 2.7498 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -77.18, 165.14 APE9-dihe-na 66.79, 123.95 APE8-dihe-in -58.64, 137.09 APE8-rot-in 295.11 APE67-dihe-in -64.73, -14.43 -51.73, -38.67 APE12-dist-in 13.2832 APE11-dist-in 10.31 APE10-dist-in 6.5413 APE9-dist-in 3.4746 None None None EM 2.3 999.0 999.0 J 349.0 291.0 10 28 24 4 [[12, 295]] 1.0 8s0t 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: YNK

Total number of chains: 4
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9GLAA
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 9GLAA P24941 2 294 298.0 YNK:301 Type1 Active DFGin 6.5769 15.5142 BLAminus -128.21, 178.66 58.88, 75.5 -98.38, 16.76 279.06, 75.03 -64.26, -28.43 in-in in 8.7109 Saltbr-in 3.5979 HRD-in -78.33, -59.03 76.12, 9.43 in-in-in SNCiii in-in ActLoopNT-in 2.9757 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.31, 151.55 APE9-dihe-na 71.55, 133.57 APE8-dihe-in -59.31, 146.48 APE8-rot-in 291.51 APE67-dihe-in -64.58, -21.93 -51.88, -49.99 APE12-dist-in 13.0096 APE11-dist-in 10.3227 APE10-dist-in 7.2562 APE9-dist-in 3.4171 E8D,K9F,I10L,T14Q,Y15F,V64I,L83M,H84E,Q85T,K88E,K89V,Q131N TPO160 TPO160 XRAY 2.18 0.203 0.249 A 298.0 292.0 1 28 28 0 [[4, 286]] 1.0 9gla Homo sapiens CMGC_CDK2_HUMAN CMGC 8.4e-88 300.9 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 8R9UA P50613 10 311 346.0 YNK:401 Type1 Inactive DFGin 6.9951 14.8189 BLAminus -136.34, 177.25 64.26, 71.88 -94.29, 35.4 287.51, 80.17 -88.88, -17.75 in-in in 7.6675 Saltbr-in 3.0978 HRD-in -70.29, -39.89 54.29, 18.68 in-in-out SNCiio in-out ActLoopNT-in 2.9399 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, 95.99 APE9-dihe-na -33.61, 162.87 APE8-dihe-in -57.31, 147.69 APE8-rot-out 184.84 APE67-dihe-in -64.25, -23.63 -55.57, -38.7 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.4547 APE9-dist-in 3.4208 W132R,S164D,T170E None None XRAY 1.937 0.278 0.34 A 371.0 282.0 20 28 22 6 [[12, 295]] 1.0 8r9u 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 8R9UB P50613 10 311 346.0 YNK:401 Type1 Inactive DFGin 7.1496 14.7787 BLAminus -129.44, 175.01 67.08, 73.42 -94.57, 34.81 287.86, 79.6 -89.74, -17.02 in-in in 8.0316 Saltbr-in 2.9706 HRD-in -66.25, -52.35 71.96, 8.72 in-in-out SNCiio in-out ActLoopNT-in 2.8138 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, 137.47 APE9-dihe-na -49.58, 159.48 APE8-dihe-in -61.33, 140.09 APE8-rot-out 190.38 APE67-dihe-in -65.39, -24.05 -38.15, -47.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 9.1568 APE9-dist-in 3.5728 W132R,S164D,T170E None None XRAY 1.937 0.278 0.34 B 371.0 282.0 20 28 22 6 [[12, 295]] 1.0 8r9u 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 8S0TJ P50613 10 310 346.0 YNK:401 Type1 Active DFGin 7.0364 15.1535 BLAminus -155.14, 160.15 71.15, 63.8 -77.32, 14.33 280.99, 80.55 -67.17, -20.96 in-in in 7.5469 Saltbr-in 3.0691 HRD-in -68.72, -39.05 53.9, 20.09 in-in-in SNCiii in-in ActLoopNT-in 2.7498 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -77.18, 165.14 APE9-dihe-na 66.79, 123.95 APE8-dihe-in -58.64, 137.09 APE8-rot-in 295.11 APE67-dihe-in -64.73, -14.43 -51.73, -38.67 APE12-dist-in 13.2832 APE11-dist-in 10.31 APE10-dist-in 6.5413 APE9-dist-in 3.4746 None None None EM 2.3 999.0 999.0 J 349.0 291.0 10 28 24 4 [[12, 295]] 1.0 8s0t 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: YNK

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