Ligand: HHT

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9ESJA
DFGin BLBtrans 1 33.3% 6Q4DA
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 9ESJC P24941 1 296 298.0 HHT:60501,HHT:60502,HHT:60503 Type1,Allosteric,Allosteric Active DFGin 6.6148 15.2213 BLAminus -137.79, -171.11 40.67, 80.8 -88.42, 26.95 282.0, 68.25 -67.86, -17.18 in-in in 8.6336 Saltbr-in 2.934 HRD-in -82.8, -62.24 79.8, 7.77 in-in-in SNCiii in-in ActLoopNT-in 2.8776 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.91, 149.4 APE9-dihe-na 72.98, 130.17 APE8-dihe-in -58.17, 146.1 APE8-rot-in 299.44 APE67-dihe-in -57.51, -23.31 -50.67, -52.77 APE12-dist-in 12.6252 APE11-dist-in 9.9057 APE10-dist-in 6.7036 APE9-dist-in 3.2011 None TPO160 TPO160 XRAY 2.37 0.218 0.223 C 302.0 269.0 27 28 28 0 [[4, 286]] 1.0 9esj CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 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 CDK2 CDK2_HUMAN 9ESJA P24941 1 296 298.0 HHT:60601,HHT:60602,HHT:60603,HHT:60604 Type1,Allosteric,Allosteric,Allosteric Active DFGin 6.5273 15.3244 BLAminus -137.61, -177.13 52.74, 75.68 -90.81, 24.42 279.7, 71.63 -65.27, -23.85 in-in in 8.7264 Saltbr-in 3.1003 HRD-in -83.71, -57.04 74.68, 18.49 in-in-in SNCiii in-in ActLoopNT-in 3.0323 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.23, 145.1 APE9-dihe-na 79.14, 127.92 APE8-dihe-in -56.7, 137.49 APE8-rot-in 297.98 APE67-dihe-in -59.94, -16.79 -51.82, -49.73 APE12-dist-in 12.8756 APE11-dist-in 10.06 APE10-dist-in 7.0339 APE9-dist-in 3.2658 None TPO160 TPO160 XRAY 2.37 0.218 0.223 A 302.0 296.0 0 28 28 0 [[4, 286]] 1.0 9esj CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 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 CDK2 CDK2_HUMAN 6Q4DA P24941 1 296 298.0 HHT:301,HHT:302,HHT:303,HHT:304,HHT:305,HHT:306 Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 10.5587 18.6185 BLBtrans -98.54, 149.88 64.48, 29.51 -69.88, 122.17 209.22, 109.84 93.91, -3.77 out-out out 15.5279 Saltbr-out 17.0967 HRD-in -86.94, -59.39 82.9, -16.25 out-out-out SNCooo out-out ActLoopNT-out 5.5703 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -61.19, 133.26 APE9-dihe-na -69.37, 119.77 APE8-dihe-in -73.96, 108.23 APE8-rot-out 208.44 APE67-dihe-in -63.17, -24.21 -82.02, -5.64 APE12-dist-out 17.7496 APE11-dist-out 17.0338 APE10-dist-out 19.4301 APE9-dist-out 10.7907 None None None XRAY 1.07 0.157 0.177 A 306.0 289.0 7 28 28 0 [[4, 286]] 1.0 6q4d CMGC_CDK2_HUMAN CMGC 7e-90 307.7 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

Ligand: HHT

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9ESJA
DFGin BLBtrans 1 33.3% 6Q4DA
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 9ESJC P24941 1 296 298.0 HHT:60501,HHT:60502,HHT:60503 Type1,Allosteric,Allosteric Active DFGin 6.6148 15.2213 BLAminus -137.79, -171.11 40.67, 80.8 -88.42, 26.95 282.0, 68.25 -67.86, -17.18 in-in in 8.6336 Saltbr-in 2.934 HRD-in -82.8, -62.24 79.8, 7.77 in-in-in SNCiii in-in ActLoopNT-in 2.8776 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.91, 149.4 APE9-dihe-na 72.98, 130.17 APE8-dihe-in -58.17, 146.1 APE8-rot-in 299.44 APE67-dihe-in -57.51, -23.31 -50.67, -52.77 APE12-dist-in 12.6252 APE11-dist-in 9.9057 APE10-dist-in 6.7036 APE9-dist-in 3.2011 None TPO160 TPO160 XRAY 2.37 0.218 0.223 C 302.0 269.0 27 28 28 0 [[4, 286]] 1.0 9esj Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 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 CDK2 CDK2_HUMAN 9ESJA P24941 1 296 298.0 HHT:60601,HHT:60602,HHT:60603,HHT:60604 Type1,Allosteric,Allosteric,Allosteric Active DFGin 6.5273 15.3244 BLAminus -137.61, -177.13 52.74, 75.68 -90.81, 24.42 279.7, 71.63 -65.27, -23.85 in-in in 8.7264 Saltbr-in 3.1003 HRD-in -83.71, -57.04 74.68, 18.49 in-in-in SNCiii in-in ActLoopNT-in 3.0323 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.23, 145.1 APE9-dihe-na 79.14, 127.92 APE8-dihe-in -56.7, 137.49 APE8-rot-in 297.98 APE67-dihe-in -59.94, -16.79 -51.82, -49.73 APE12-dist-in 12.8756 APE11-dist-in 10.06 APE10-dist-in 7.0339 APE9-dist-in 3.2658 None TPO160 TPO160 XRAY 2.37 0.218 0.223 A 302.0 296.0 0 28 28 0 [[4, 286]] 1.0 9esj Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 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 CDK2 CDK2_HUMAN 6Q4DA P24941 1 296 298.0 HHT:301,HHT:302,HHT:303,HHT:304,HHT:305,HHT:306 Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 10.5587 18.6185 BLBtrans -98.54, 149.88 64.48, 29.51 -69.88, 122.17 209.22, 109.84 93.91, -3.77 out-out out 15.5279 Saltbr-out 17.0967 HRD-in -86.94, -59.39 82.9, -16.25 out-out-out SNCooo out-out ActLoopNT-out 5.5703 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -61.19, 133.26 APE9-dihe-na -69.37, 119.77 APE8-dihe-in -73.96, 108.23 APE8-rot-out 208.44 APE67-dihe-in -63.17, -24.21 -82.02, -5.64 APE12-dist-out 17.7496 APE11-dist-out 17.0338 APE10-dist-out 19.4301 APE9-dist-out 10.7907 None None None XRAY 1.07 0.157 0.177 A 306.0 289.0 7 28 28 0 [[4, 286]] 1.0 6q4d Homo sapiens CMGC_CDK2_HUMAN CMGC 7e-90 307.7 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

Ligand: HHT

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