Ligand: V3U

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 9ESLA
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 9ESLC P24941 1 296 298.0 V3U:60301,V3U:60302 Type1,Allosteric Active DFGin 6.673 15.405 BLAminus -140.55, -177.95 50.02, 80.84 -92.78, 20.52 278.3, 72.54 -61.36, -26.37 in-in in 8.635 Saltbr-in 2.812 HRD-in -80.59, -57.08 73.08, 12.06 in-in-in SNCiii in-in ActLoopNT-in 2.852 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.86, 147.72 APE9-dihe-na 75.57, 125.72 APE8-dihe-in -53.85, 140.25 APE8-rot-in 308.57 APE67-dihe-in -54.82, -27.93 -44.39, -53.4 APE12-dist-in 12.718 APE11-dist-in 10.064 APE10-dist-in 6.858 APE9-dist-in 3.263 None TPO160 TPO160 XRAY 2.392 0.217 0.22 C 302 268 28 0 0 0 [[4, 286]] 1.0 9esl CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 9ESLA P24941 1 297 298.0 V3U:60301,V3U:60302,V3U:60303 Type1,Allosteric,Allosteric Active DFGin 6.621 15.27 BLAminus -138.4, 178.74 56.73, 85.65 -102.78, 26.09 280.14, 70.92 -77.54, -19.71 in-in in 8.794 Saltbr-in 3.258 HRD-in -84.5, -55.59 73.62, 15.91 in-in-in SNCiii in-in ActLoopNT-in 3.034 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -52.9, 163.47 APE9-dihe-na 75.95, 128.72 APE8-dihe-in -54.92, 137.6 APE8-rot-in 298.46 APE67-dihe-in -62.23, -17.31 -55.18, -44.63 APE12-dist-in 12.988 APE11-dist-in 11.939 APE10-dist-in 7.114 APE9-dist-in 3.154 None TPO160 TPO160 XRAY 2.392 0.217 0.22 A 302 297 0 0 0 0 [[4, 286]] 1.0 9esl CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2

Ligand: V3U

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 9ESLA
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 9ESLC P24941 1 296 298.0 V3U:60301,V3U:60302 Type1,Allosteric Active DFGin 6.673 15.405 BLAminus -140.55, -177.95 50.02, 80.84 -92.78, 20.52 278.3, 72.54 -61.36, -26.37 in-in in 8.635 Saltbr-in 2.812 HRD-in -80.59, -57.08 73.08, 12.06 in-in-in SNCiii in-in ActLoopNT-in 2.852 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.86, 147.72 APE9-dihe-na 75.57, 125.72 APE8-dihe-in -53.85, 140.25 APE8-rot-in 308.57 APE67-dihe-in -54.82, -27.93 -44.39, -53.4 APE12-dist-in 12.718 APE11-dist-in 10.064 APE10-dist-in 6.858 APE9-dist-in 3.263 None TPO160 TPO160 XRAY 2.392 0.217 0.22 C 302 268 28 0 0 0 [[4, 286]] 1.0 9esl Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 9ESLA P24941 1 297 298.0 V3U:60301,V3U:60302,V3U:60303 Type1,Allosteric,Allosteric Active DFGin 6.621 15.27 BLAminus -138.4, 178.74 56.73, 85.65 -102.78, 26.09 280.14, 70.92 -77.54, -19.71 in-in in 8.794 Saltbr-in 3.258 HRD-in -84.5, -55.59 73.62, 15.91 in-in-in SNCiii in-in ActLoopNT-in 3.034 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -52.9, 163.47 APE9-dihe-na 75.95, 128.72 APE8-dihe-in -54.92, 137.6 APE8-rot-in 298.46 APE67-dihe-in -62.23, -17.31 -55.18, -44.63 APE12-dist-in 12.988 APE11-dist-in 11.939 APE10-dist-in 7.114 APE9-dist-in 3.154 None TPO160 TPO160 XRAY 2.392 0.217 0.22 A 302 297 0 0 0 0 [[4, 286]] 1.0 9esl Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2

Ligand: V3U

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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