Ligand: 65L

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 7VDPA
DFGin BLBtrans 1 33.3% 7VDUA
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 7VDUA P24941 1 296 298.0 65L:60301 Type1 Inactive DFGin 10.8952 18.5579 BLBtrans -97.63, 158.27 65.67, 19.39 -67.16, 129.16 225.15, 112.44 87.97, -11.91 out-na out 15.3756 Saltbr-na 16.2017 HRD-in -85.75, -59.87 79.8, -6.3 na-out-out SNCaoo out-out ActLoopNT-out 5.5979 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -69.56, 126.12 APE9-dihe-na -74.42, 120.79 APE8-dihe-in -60.87, 141.08 APE8-rot-out 190.37 APE67-dihe-in -61.73, -29.69 -97.28, -3.08 APE12-dist-out 19.6466 APE11-dist-out 17.134 APE10-dist-out 18.7185 APE9-dist-out 10.0079 None None KCX33 XRAY 1.53 0.18 0.217 A 300.0 289.0 7 28 28 0 [[4, 286]] 1.0 7vdu CMGC_CDK2_HUMAN CMGC 6.5e-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 CDK5 CDK5_HUMAN 7VDPA Q00535 2 291 292.0 65L:301 Type1 Inactive DFGin 6.7648 15.3893 BLAminus -127.42, 170.52 67.24, 87.09 -100.87, 23.21 283.17, 74.31 -63.43, -25.09 in-out in 8.8533 Saltbr-out 3.7283 HRD-in -78.41, -56.12 72.29, 8.93 out-in-out SNCoio in-out ActLoopNT-in 2.8658 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.29, 146.94 APE9-dihe-na 69.86, 130.59 APE8-dihe-in -56.21, 145.09 APE8-rot-out 66.15 APE67-dihe-in -65.94, -20.99 -45.11, -46.74 APE12-dist-in 13.3218 APE11-dist-in 10.197 APE10-dist-in 6.9249 APE9-dist-in 3.3917 None None None XRAY 2.09 0.202 0.229 A 292.0 287.0 3 28 28 0 [[4, 286]] 1.0 7vdp CMGC_CDK5_HUMAN CMGC 4e-84 288.8 1.0 301.0 301.0 143 144 145 147 149 33 51 55 123 125 124 126.0 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase 5
CMGC CDK5 CDK5_HUMAN 7VDPB Q00535 3 288 292.0 65L:301 Type1 Inactive DFGin 6.7292 14.9863 BLAminus -127.65, 169.87 66.53, 89.09 -101.2, 27.01 283.91, 72.42 -67.19, -23.91 in-out in 8.8191 Saltbr-out 3.7073 HRD-in -80.8, -59.5 69.85, 17.04 out-in-out SNCoio in-out ActLoopNT-in 2.8868 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -137.89, 151.46 APE9-dihe-na 71.79, 133.86 APE8-dihe-in -61.46, 147.21 APE8-rot-out 65.8 APE67-dihe-in -67.63, -21.22 -46.93, -48.84 APE12-dist-in 12.798 APE11-dist-in 9.6021 APE10-dist-in 6.4704 APE9-dist-in 3.3707 None None None XRAY 2.09 0.202 0.229 B 292.0 279.0 7 28 28 0 [[4, 286]] 1.0 7vdp CMGC_CDK5_HUMAN CMGC 4e-84 288.8 1.0 301.0 301.0 143 144 145 147 149 33 51 55 123 125 124 126.0 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase 5

Ligand: 65L

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 7VDPA
DFGin BLBtrans 1 33.3% 7VDUA
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 7VDUA P24941 1 296 298.0 65L:60301 Type1 Inactive DFGin 10.8952 18.5579 BLBtrans -97.63, 158.27 65.67, 19.39 -67.16, 129.16 225.15, 112.44 87.97, -11.91 out-na out 15.3756 Saltbr-na 16.2017 HRD-in -85.75, -59.87 79.8, -6.3 na-out-out SNCaoo out-out ActLoopNT-out 5.5979 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -69.56, 126.12 APE9-dihe-na -74.42, 120.79 APE8-dihe-in -60.87, 141.08 APE8-rot-out 190.37 APE67-dihe-in -61.73, -29.69 -97.28, -3.08 APE12-dist-out 19.6466 APE11-dist-out 17.134 APE10-dist-out 18.7185 APE9-dist-out 10.0079 None None KCX33 XRAY 1.53 0.18 0.217 A 300.0 289.0 7 28 28 0 [[4, 286]] 1.0 7vdu Homo sapiens CMGC_CDK2_HUMAN CMGC 6.5e-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 CDK5 CDK5_HUMAN 7VDPA Q00535 2 291 292.0 65L:301 Type1 Inactive DFGin 6.7648 15.3893 BLAminus -127.42, 170.52 67.24, 87.09 -100.87, 23.21 283.17, 74.31 -63.43, -25.09 in-out in 8.8533 Saltbr-out 3.7283 HRD-in -78.41, -56.12 72.29, 8.93 out-in-out SNCoio in-out ActLoopNT-in 2.8658 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.29, 146.94 APE9-dihe-na 69.86, 130.59 APE8-dihe-in -56.21, 145.09 APE8-rot-out 66.15 APE67-dihe-in -65.94, -20.99 -45.11, -46.74 APE12-dist-in 13.3218 APE11-dist-in 10.197 APE10-dist-in 6.9249 APE9-dist-in 3.3917 None None None XRAY 2.09 0.202 0.229 A 292.0 287.0 3 28 28 0 [[4, 286]] 1.0 7vdp Homo sapiens CMGC_CDK5_HUMAN CMGC 4e-84 288.8 1.0 301.0 301.0 143 144 145 147 149 33 51 55 123 125 124 126.0 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase 5
CMGC CDK5 CDK5_HUMAN 7VDPB Q00535 3 288 292.0 65L:301 Type1 Inactive DFGin 6.7292 14.9863 BLAminus -127.65, 169.87 66.53, 89.09 -101.2, 27.01 283.91, 72.42 -67.19, -23.91 in-out in 8.8191 Saltbr-out 3.7073 HRD-in -80.8, -59.5 69.85, 17.04 out-in-out SNCoio in-out ActLoopNT-in 2.8868 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -137.89, 151.46 APE9-dihe-na 71.79, 133.86 APE8-dihe-in -61.46, 147.21 APE8-rot-out 65.8 APE67-dihe-in -67.63, -21.22 -46.93, -48.84 APE12-dist-in 12.798 APE11-dist-in 9.6021 APE10-dist-in 6.4704 APE9-dist-in 3.3707 None None None XRAY 2.09 0.202 0.229 B 292.0 279.0 7 28 28 0 [[4, 286]] 1.0 7vdp Homo sapiens CMGC_CDK5_HUMAN CMGC 4e-84 288.8 1.0 301.0 301.0 143 144 145 147 149 33 51 55 123 125 124 126.0 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase 5

Ligand: 65L

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