Ligand: A1A1H

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9D0VA
DFGin BLBminus 1 50.0% 9D0UA
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 9D0VA P24941 1 296 298.0 A1A1H:60301 Type1 Active DFGin 7.1154 15.1718 BLAminus -150.53, 171.22 54.29, 76.14 -85.06, 18.83 283.94, 69.83 -60.62, -21.05 in-in in 8.45 Saltbr-in 2.7121 HRD-in -75.7, -55.17 69.28, 14.04 in-in-in SNCiii in-in ActLoopNT-in 2.8967 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.78, 157.01 APE9-dihe-na 74.81, 137.48 APE8-dihe-in -61.2, 139.24 APE8-rot-in 301.92 APE67-dihe-in -58.21, -20.25 -48.4, -45.12 APE12-dist-in 13.5713 APE11-dist-in 11.8786 APE10-dist-in 7.373 APE9-dist-in 3.1168 None TPO160 TPO160 XRAY 2.54 0.193 0.231 A 298.0 296.0 0 28 28 0 [[4, 286]] 1.0 9d0v CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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 9D0UA P24941 1 298 298.0 A1A1H:301 Type1 Inactive DFGin 8.5249 15.6492 BLBminus -132.55, 155.33 56.61, 71.46 -74.59, 136.49 281.17, 65.2 -85.62, 123.9 out-out out 15.2653 Saltbr-out 16.6588 HRD-in -93.27, -34.94 68.53, -43.24 out-out-out SNCooo out-out ActLoopNT-out 9.7273 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnoo APE10-dihe-na 999.0, -37.05 APE9-dihe-na -84.27, -7.27 APE8-dihe-out -69.63, -34.14 APE8-rot-in 261.42 APE67-dihe-in -61.77, -19.59 -63.83, -33.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 19.7638 APE9-dist-out 11.0692 None None None XRAY 2.6 0.212 0.26 A 298.0 289.0 9 28 24 4 [[4, 286]] 1.0 9d0u CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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: A1A1H

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9D0VA
DFGin BLBminus 1 50.0% 9D0UA
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 9D0VA P24941 1 296 298.0 A1A1H:60301 Type1 Active DFGin 7.1154 15.1718 BLAminus -150.53, 171.22 54.29, 76.14 -85.06, 18.83 283.94, 69.83 -60.62, -21.05 in-in in 8.45 Saltbr-in 2.7121 HRD-in -75.7, -55.17 69.28, 14.04 in-in-in SNCiii in-in ActLoopNT-in 2.8967 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.78, 157.01 APE9-dihe-na 74.81, 137.48 APE8-dihe-in -61.2, 139.24 APE8-rot-in 301.92 APE67-dihe-in -58.21, -20.25 -48.4, -45.12 APE12-dist-in 13.5713 APE11-dist-in 11.8786 APE10-dist-in 7.373 APE9-dist-in 3.1168 None TPO160 TPO160 XRAY 2.54 0.193 0.231 A 298.0 296.0 0 28 28 0 [[4, 286]] 1.0 9d0v Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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 9D0UA P24941 1 298 298.0 A1A1H:301 Type1 Inactive DFGin 8.5249 15.6492 BLBminus -132.55, 155.33 56.61, 71.46 -74.59, 136.49 281.17, 65.2 -85.62, 123.9 out-out out 15.2653 Saltbr-out 16.6588 HRD-in -93.27, -34.94 68.53, -43.24 out-out-out SNCooo out-out ActLoopNT-out 9.7273 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnoo APE10-dihe-na 999.0, -37.05 APE9-dihe-na -84.27, -7.27 APE8-dihe-out -69.63, -34.14 APE8-rot-in 261.42 APE67-dihe-in -61.77, -19.59 -63.83, -33.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 19.7638 APE9-dist-out 11.0692 None None None XRAY 2.6 0.212 0.26 A 298.0 289.0 9 28 24 4 [[4, 286]] 1.0 9d0u Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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: A1A1H

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