Ligand: HGQ

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% 9ET7C
None None 1 33.3% 6Q49A
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 9ET7C P24941 1 296 298.0 HGQ:60301 Type1 Active DFGin 6.6279 15.4917 BLAminus -134.87, 177.99 57.6, 75.53 -90.81, 23.9 281.22, 72.55 -65.86, -32.54 in-in in 8.6411 Saltbr-in 3.0152 HRD-in -77.38, -56.31 71.77, 14.03 in-in-in SNCiii in-in ActLoopNT-in 2.8941 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.83, 150.81 APE9-dihe-na 73.21, 128.16 APE8-dihe-in -54.48, 138.37 APE8-rot-in 306.51 APE67-dihe-in -58.88, -21.95 -48.81, -49.4 APE12-dist-in 12.8748 APE11-dist-in 10.3509 APE10-dist-in 7.0636 APE9-dist-in 3.3625 None TPO160 TPO160 XRAY 2.312 0.241 0.271 C 302.0 296.0 0 28 28 0 [[4, 286]] 1.0 9et7 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 9ET7A P24941 1 289 298.0 HGQ:60301,HGQ:60302 Type1,Allosteric Active DFGin 6.6845 15.2971 BLAminus -134.16, 175.42 60.98, 76.23 -92.01, 22.87 281.63, 72.75 -65.33, -31.28 in-in in 8.6815 Saltbr-in 2.9811 HRD-in -77.49, -57.6 73.35, 16.1 in-in-in SNCiii in-in ActLoopNT-in 2.9151 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.54, 163.96 APE9-dihe-na 75.76, 128.99 APE8-dihe-in -52.61, 137.53 APE8-rot-in 306.37 APE67-dihe-in -58.89, -21.47 -51.05, -48.57 APE12-dist-in 13.2178 APE11-dist-in 11.8803 APE10-dist-in 7.0228 APE9-dist-in 3.2945 None TPO160 TPO160 XRAY 2.312 0.241 0.271 A 302.0 289.0 0 28 28 0 [[4, 286]] 1.0 9et7 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 6Q49A P24941 1 298 298.0 HGQ:402 Allosteric Inactive None 11.685 18.2873 None -102.71, 149.23 81.53, 18.71 -53.72, 141.75 260.6, 87.13 82.9, -13.25 out-out out 15.6062 Saltbr-out 17.0273 HRD-in -92.34, -62.66 83.92, -15.17 out-out-out SNCooo out-out ActLoopNT-out 5.8826 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -56.92, 142.28 APE9-dihe-na -102.94, 76.38 APE8-dihe-in -27.85, 126.48 APE8-rot-in 312.85 APE67-dihe-in -63.54, -23.09 -100.36, -3.16 APE12-dist-none 999.0 APE11-dist-out 18.1239 APE10-dist-out 19.3277 APE9-dist-out 10.7111 None None None XRAY 1.0 0.176 0.197 A 306.0 287.0 11 28 23 5 [[4, 286]] 1.0 6q49 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: HGQ

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% 9ET7C
None None 1 33.3% 6Q49A
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 9ET7C P24941 1 296 298.0 HGQ:60301 Type1 Active DFGin 6.6279 15.4917 BLAminus -134.87, 177.99 57.6, 75.53 -90.81, 23.9 281.22, 72.55 -65.86, -32.54 in-in in 8.6411 Saltbr-in 3.0152 HRD-in -77.38, -56.31 71.77, 14.03 in-in-in SNCiii in-in ActLoopNT-in 2.8941 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.83, 150.81 APE9-dihe-na 73.21, 128.16 APE8-dihe-in -54.48, 138.37 APE8-rot-in 306.51 APE67-dihe-in -58.88, -21.95 -48.81, -49.4 APE12-dist-in 12.8748 APE11-dist-in 10.3509 APE10-dist-in 7.0636 APE9-dist-in 3.3625 None TPO160 TPO160 XRAY 2.312 0.241 0.271 C 302.0 296.0 0 28 28 0 [[4, 286]] 1.0 9et7 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 9ET7A P24941 1 289 298.0 HGQ:60301,HGQ:60302 Type1,Allosteric Active DFGin 6.6845 15.2971 BLAminus -134.16, 175.42 60.98, 76.23 -92.01, 22.87 281.63, 72.75 -65.33, -31.28 in-in in 8.6815 Saltbr-in 2.9811 HRD-in -77.49, -57.6 73.35, 16.1 in-in-in SNCiii in-in ActLoopNT-in 2.9151 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.54, 163.96 APE9-dihe-na 75.76, 128.99 APE8-dihe-in -52.61, 137.53 APE8-rot-in 306.37 APE67-dihe-in -58.89, -21.47 -51.05, -48.57 APE12-dist-in 13.2178 APE11-dist-in 11.8803 APE10-dist-in 7.0228 APE9-dist-in 3.2945 None TPO160 TPO160 XRAY 2.312 0.241 0.271 A 302.0 289.0 0 28 28 0 [[4, 286]] 1.0 9et7 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 6Q49A P24941 1 298 298.0 HGQ:402 Allosteric Inactive None 11.685 18.2873 None -102.71, 149.23 81.53, 18.71 -53.72, 141.75 260.6, 87.13 82.9, -13.25 out-out out 15.6062 Saltbr-out 17.0273 HRD-in -92.34, -62.66 83.92, -15.17 out-out-out SNCooo out-out ActLoopNT-out 5.8826 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -56.92, 142.28 APE9-dihe-na -102.94, 76.38 APE8-dihe-in -27.85, 126.48 APE8-rot-in 312.85 APE67-dihe-in -63.54, -23.09 -100.36, -3.16 APE12-dist-none 999.0 APE11-dist-out 18.1239 APE10-dist-out 19.3277 APE9-dist-out 10.7111 None None None XRAY 1.0 0.176 0.197 A 306.0 287.0 11 28 23 5 [[4, 286]] 1.0 6q49 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: HGQ

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