Ligand: IJX

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% 9ET2A
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 9ET2A P24941 1 298 298.0 IJX:60301,IJX:60302 Allosteric,Type1 Active DFGin 6.679 15.451 BLAminus -141.74, 173.34 57.73, 90.3 -103.65, 24.15 276.16, 73.44 -67.69, -32.25 in-in in 8.736 Saltbr-in 3.199 HRD-in -83.89, -59.32 78.42, 17.56 in-in-in SNCiii in-in ActLoopNT-in 3.012 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.93, 164.85 APE9-dihe-na 78.45, 121.77 APE8-dihe-in -43.83, 132.89 APE8-rot-in 303.96 APE67-dihe-in -56.19, -21.95 -48.89, -51.57 APE12-dist-in 13.137 APE11-dist-in 11.976 APE10-dist-in 6.976 APE9-dist-in 3.288 None TPO160 TPO160 XRAY 2.37 0.229 0.231 A 302 298 0 0 0 0 [[4, 286]] 1.0 9et2 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 9ET2C P24941 1 296 298.0 IJX:60501 Type1 Active DFGin 6.584 15.27 BLAminus -138.1, -174.28 43.8, 86.79 -97.27, 25.78 280.09, 73.01 -64.15, -26.09 in-in in 8.412 Saltbr-in 2.806 HRD-in -80.71, -60.66 80.25, 0.88 in-in-in SNCiii in-in ActLoopNT-in 2.874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.46, 149.88 APE9-dihe-na 78.61, 126.17 APE8-dihe-in -51.98, 138.05 APE8-rot-in 306.97 APE67-dihe-in -57.75, -25.38 -42.91, -53.12 APE12-dist-in 12.912 APE11-dist-in 10.439 APE10-dist-in 6.89 APE9-dist-in 3.092 None TPO160 TPO160 XRAY 2.37 0.229 0.231 C 302 296 0 0 0 0 [[4, 286]] 1.0 9et2 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: IJX

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% 9ET2A
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 9ET2A P24941 1 298 298.0 IJX:60301,IJX:60302 Allosteric,Type1 Active DFGin 6.679 15.451 BLAminus -141.74, 173.34 57.73, 90.3 -103.65, 24.15 276.16, 73.44 -67.69, -32.25 in-in in 8.736 Saltbr-in 3.199 HRD-in -83.89, -59.32 78.42, 17.56 in-in-in SNCiii in-in ActLoopNT-in 3.012 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.93, 164.85 APE9-dihe-na 78.45, 121.77 APE8-dihe-in -43.83, 132.89 APE8-rot-in 303.96 APE67-dihe-in -56.19, -21.95 -48.89, -51.57 APE12-dist-in 13.137 APE11-dist-in 11.976 APE10-dist-in 6.976 APE9-dist-in 3.288 None TPO160 TPO160 XRAY 2.37 0.229 0.231 A 302 298 0 0 0 0 [[4, 286]] 1.0 9et2 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 9ET2C P24941 1 296 298.0 IJX:60501 Type1 Active DFGin 6.584 15.27 BLAminus -138.1, -174.28 43.8, 86.79 -97.27, 25.78 280.09, 73.01 -64.15, -26.09 in-in in 8.412 Saltbr-in 2.806 HRD-in -80.71, -60.66 80.25, 0.88 in-in-in SNCiii in-in ActLoopNT-in 2.874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.46, 149.88 APE9-dihe-na 78.61, 126.17 APE8-dihe-in -51.98, 138.05 APE8-rot-in 306.97 APE67-dihe-in -57.75, -25.38 -42.91, -53.12 APE12-dist-in 12.912 APE11-dist-in 10.439 APE10-dist-in 6.89 APE9-dist-in 3.092 None TPO160 TPO160 XRAY 2.37 0.229 0.231 C 302 296 0 0 0 0 [[4, 286]] 1.0 9et2 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: IJX

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