Ligand: HHQ

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% 9ET6A
None None 1 33.3% 6Q48A
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 9ET6A P24941 1 298 298.0 HHQ:60301,HHQ:60302,HHQ:60303,HHQ:60304,HHQ:60305 Allosteric,Type1,Type1,Allosteric,Allosteric Active DFGin 6.5581 15.3999 BLAminus -138.32, 174.17 59.16, 82.89 -97.52, 24.91 277.51, 70.1 -66.81, -32.16 in-in in 8.6827 Saltbr-in 3.2887 HRD-in -83.72, -58.26 76.77, 19.99 in-in-in SNCiii in-in ActLoopNT-in 2.9674 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.68, 144.14 APE9-dihe-na 73.74, 127.27 APE8-dihe-in -53.01, 138.45 APE8-rot-in 290.69 APE67-dihe-in -56.0, -15.28 -49.45, -51.36 APE12-dist-in 12.7362 APE11-dist-in 9.9692 APE10-dist-in 7.1144 APE9-dist-in 3.1934 None TPO160 TPO160 XRAY 2.553 0.224 0.239 A 302.0 298.0 0 28 28 0 [[4, 286]] 1.0 9et6 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 9ET6C P24941 1 296 298.0 HHQ:60301,HHQ:60302,HHQ:60303 Type1,Allosteric,Allosteric Active DFGin 6.8731 15.7288 BLAminus -138.12, -175.76 50.55, 79.21 -99.63, 40.16 275.32, 72.76 -79.96, -35.84 in-in in 8.8216 Saltbr-in 3.0404 HRD-in -79.3, -57.91 70.96, 13.7 in-in-in SNCiii in-in ActLoopNT-in 2.8567 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -118.02, -81.33 APE9-dihe-na -75.9, 158.42 APE8-dihe-in -63.8, 136.86 APE8-rot-in 315.58 APE67-dihe-in -58.45, -31.02 -40.63, -49.71 APE12-dist-in 12.649 APE11-dist-in 9.9797 APE10-dist-in 6.8351 APE9-dist-in 3.4274 None TPO160 TPO160 XRAY 2.553 0.224 0.239 C 302.0 296.0 0 28 28 0 [[4, 286]] 1.0 9et6 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 6Q48A P24941 1 296 298.0 HHQ:302 Type1 Inactive None 11.7349 18.0807 None -106.16, 153.92 82.02, 17.32 -55.23, 142.63 259.92, 89.4 83.11, -15.88 out-out out 15.6413 Saltbr-out 17.3731 HRD-in -92.3, -63.2 83.34, -15.4 out-out-out SNCooo out-out ActLoopNT-out 5.9425 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -92.12, 150.91 APE9-dihe-na -70.17, 141.74 APE8-dihe-in -85.56, 124.19 APE8-rot-in 313.51 APE67-dihe-in -62.02, -25.18 -103.39, -3.65 APE12-dist-none 999.0 APE11-dist-out 19.3458 APE10-dist-out 20.0012 APE9-dist-out 11.313 None None None XRAY 1.03 0.189 0.214 A 306.0 280.0 16 28 20 8 [[4, 286]] 1.0 6q48 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: HHQ

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% 9ET6A
None None 1 33.3% 6Q48A
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 9ET6A P24941 1 298 298.0 HHQ:60301,HHQ:60302,HHQ:60303,HHQ:60304,HHQ:60305 Allosteric,Type1,Type1,Allosteric,Allosteric Active DFGin 6.5581 15.3999 BLAminus -138.32, 174.17 59.16, 82.89 -97.52, 24.91 277.51, 70.1 -66.81, -32.16 in-in in 8.6827 Saltbr-in 3.2887 HRD-in -83.72, -58.26 76.77, 19.99 in-in-in SNCiii in-in ActLoopNT-in 2.9674 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.68, 144.14 APE9-dihe-na 73.74, 127.27 APE8-dihe-in -53.01, 138.45 APE8-rot-in 290.69 APE67-dihe-in -56.0, -15.28 -49.45, -51.36 APE12-dist-in 12.7362 APE11-dist-in 9.9692 APE10-dist-in 7.1144 APE9-dist-in 3.1934 None TPO160 TPO160 XRAY 2.553 0.224 0.239 A 302.0 298.0 0 28 28 0 [[4, 286]] 1.0 9et6 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 9ET6C P24941 1 296 298.0 HHQ:60301,HHQ:60302,HHQ:60303 Type1,Allosteric,Allosteric Active DFGin 6.8731 15.7288 BLAminus -138.12, -175.76 50.55, 79.21 -99.63, 40.16 275.32, 72.76 -79.96, -35.84 in-in in 8.8216 Saltbr-in 3.0404 HRD-in -79.3, -57.91 70.96, 13.7 in-in-in SNCiii in-in ActLoopNT-in 2.8567 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -118.02, -81.33 APE9-dihe-na -75.9, 158.42 APE8-dihe-in -63.8, 136.86 APE8-rot-in 315.58 APE67-dihe-in -58.45, -31.02 -40.63, -49.71 APE12-dist-in 12.649 APE11-dist-in 9.9797 APE10-dist-in 6.8351 APE9-dist-in 3.4274 None TPO160 TPO160 XRAY 2.553 0.224 0.239 C 302.0 296.0 0 28 28 0 [[4, 286]] 1.0 9et6 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 6Q48A P24941 1 296 298.0 HHQ:302 Type1 Inactive None 11.7349 18.0807 None -106.16, 153.92 82.02, 17.32 -55.23, 142.63 259.92, 89.4 83.11, -15.88 out-out out 15.6413 Saltbr-out 17.3731 HRD-in -92.3, -63.2 83.34, -15.4 out-out-out SNCooo out-out ActLoopNT-out 5.9425 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -92.12, 150.91 APE9-dihe-na -70.17, 141.74 APE8-dihe-in -85.56, 124.19 APE8-rot-in 313.51 APE67-dihe-in -62.02, -25.18 -103.39, -3.65 APE12-dist-none 999.0 APE11-dist-out 19.3458 APE10-dist-out 20.0012 APE9-dist-out 11.313 None None None XRAY 1.03 0.189 0.214 A 306.0 280.0 16 28 20 8 [[4, 286]] 1.0 6q48 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: HHQ

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