Ligand: 64V

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7VDQA
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 CDK5 CDK5_HUMAN 7VDQA Q00535 2 291 292.0 64V:301 Type1 Inactive DFGin 6.6062 15.2883 BLAminus -126.33, 172.99 66.95, 84.9 -102.8, 32.89 288.52, 70.91 -63.45, -40.23 in-in in 8.7668 Saltbr-in 2.9151 HRD-in -78.08, -59.02 67.94, 17.12 in-in-out SNCiio in-out ActLoopNT-in 2.8528 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -140.03, 142.95 APE9-dihe-na 72.97, 131.4 APE8-dihe-in -63.75, 141.79 APE8-rot-out 59.38 APE67-dihe-in -67.5, -17.15 -39.1, -48.99 APE12-dist-in 13.3265 APE11-dist-in 10.4562 APE10-dist-in 6.9809 APE9-dist-in 3.343 None None None XRAY 2.91 0.254 0.284 A 292.0 290.0 0 28 28 0 [[4, 286]] 1.0 7vdq 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 7VDQB Q00535 3 288 292.0 64V:301 Type1 Inactive DFGin 6.7029 15.3713 BLAminus -126.83, 173.21 67.53, 85.45 -103.83, 35.8 289.7, 71.3 -66.2, -38.73 in-in in 8.902 Saltbr-in 2.9093 HRD-in -79.53, -57.9 70.89, 16.51 in-in-out SNCiio in-out ActLoopNT-in 2.8736 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -139.15, 143.9 APE9-dihe-na 74.88, 143.9 APE8-dihe-in -77.64, 140.07 APE8-rot-out 62.74 APE67-dihe-in -67.14, -19.69 -37.77, -52.43 APE12-dist-in 12.7444 APE11-dist-in 9.9205 APE10-dist-in 6.6672 APE9-dist-in 3.3445 None None None XRAY 2.91 0.254 0.284 B 292.0 277.0 9 28 28 0 [[4, 286]] 1.0 7vdq 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: 64V

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7VDQA
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 CDK5 CDK5_HUMAN 7VDQA Q00535 2 291 292.0 64V:301 Type1 Inactive DFGin 6.6062 15.2883 BLAminus -126.33, 172.99 66.95, 84.9 -102.8, 32.89 288.52, 70.91 -63.45, -40.23 in-in in 8.7668 Saltbr-in 2.9151 HRD-in -78.08, -59.02 67.94, 17.12 in-in-out SNCiio in-out ActLoopNT-in 2.8528 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -140.03, 142.95 APE9-dihe-na 72.97, 131.4 APE8-dihe-in -63.75, 141.79 APE8-rot-out 59.38 APE67-dihe-in -67.5, -17.15 -39.1, -48.99 APE12-dist-in 13.3265 APE11-dist-in 10.4562 APE10-dist-in 6.9809 APE9-dist-in 3.343 None None None XRAY 2.91 0.254 0.284 A 292.0 290.0 0 28 28 0 [[4, 286]] 1.0 7vdq 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 7VDQB Q00535 3 288 292.0 64V:301 Type1 Inactive DFGin 6.7029 15.3713 BLAminus -126.83, 173.21 67.53, 85.45 -103.83, 35.8 289.7, 71.3 -66.2, -38.73 in-in in 8.902 Saltbr-in 2.9093 HRD-in -79.53, -57.9 70.89, 16.51 in-in-out SNCiio in-out ActLoopNT-in 2.8736 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -139.15, 143.9 APE9-dihe-na 74.88, 143.9 APE8-dihe-in -77.64, 140.07 APE8-rot-out 62.74 APE67-dihe-in -67.14, -19.69 -37.77, -52.43 APE12-dist-in 12.7444 APE11-dist-in 9.9205 APE10-dist-in 6.6672 APE9-dist-in 3.3445 None None None XRAY 2.91 0.254 0.284 B 292.0 277.0 9 28 28 0 [[4, 286]] 1.0 7vdq 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: 64V

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