Ligand: Z3R

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% 4AU8B
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 4AU8A Q00535 2 289 292.0 Z3R:61293 Type1 Inactive DFGin 7.1122 15.1372 BLAminus -135.37, 172.87 64.95, 77.01 -97.51, 18.8 282.03, 77.47 -65.91, -19.1 in-in in 8.2084 Saltbr-in 2.6454 HRD-in -73.52, -48.92 73.07, -7.77 in-in-out SNCiio in-out ActLoopNT-in 2.9444 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -144.11, 169.24 APE9-dihe-na -57.47, 146.77 APE8-dihe-in -51.22, 149.12 APE8-rot-out 191.34 APE67-dihe-in -62.35, -21.28 -39.22, -50.79 APE12-dist-in 12.0461 APE11-dist-out 6.6974 APE10-dist-out 8.6457 APE9-dist-in 3.8759 None None None XRAY 1.9 0.197 0.234 A 296.0 274.0 14 28 26 2 [[4, 286]] 1.0 4au8 CMGC_CDK5_HUMAN CMGC 4.2e-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 4AU8B Q00535 2 289 292.0 Z3R:61293 Type1 Inactive DFGin 7.2608 15.5319 BLAminus -136.24, 169.41 66.3, 80.09 -99.68, 21.4 281.94, 79.2 -66.25, -19.98 in-in in 8.1283 Saltbr-in 2.8349 HRD-in -70.21, -48.16 75.6, -7.91 in-in-out SNCiio in-out ActLoopNT-in 2.947 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, 152.31 APE9-dihe-na -57.56, 146.64 APE8-dihe-in -53.33, 139.32 APE8-rot-out 196.17 APE67-dihe-in -60.73, -25.67 -36.04, -48.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.8336 APE9-dist-in 3.8301 None None None XRAY 1.9 0.197 0.234 B 296.0 277.0 11 28 22 6 [[4, 286]] 1.0 4au8 CMGC_CDK5_HUMAN CMGC 4.2e-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: Z3R

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% 4AU8B
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 4AU8A Q00535 2 289 292.0 Z3R:61293 Type1 Inactive DFGin 7.1122 15.1372 BLAminus -135.37, 172.87 64.95, 77.01 -97.51, 18.8 282.03, 77.47 -65.91, -19.1 in-in in 8.2084 Saltbr-in 2.6454 HRD-in -73.52, -48.92 73.07, -7.77 in-in-out SNCiio in-out ActLoopNT-in 2.9444 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooi APE10-dihe-na -144.11, 169.24 APE9-dihe-na -57.47, 146.77 APE8-dihe-in -51.22, 149.12 APE8-rot-out 191.34 APE67-dihe-in -62.35, -21.28 -39.22, -50.79 APE12-dist-in 12.0461 APE11-dist-out 6.6974 APE10-dist-out 8.6457 APE9-dist-in 3.8759 None None None XRAY 1.9 0.197 0.234 A 296.0 274.0 14 28 26 2 [[4, 286]] 1.0 4au8 Homo sapiens CMGC_CDK5_HUMAN CMGC 4.2e-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 4AU8B Q00535 2 289 292.0 Z3R:61293 Type1 Inactive DFGin 7.2608 15.5319 BLAminus -136.24, 169.41 66.3, 80.09 -99.68, 21.4 281.94, 79.2 -66.25, -19.98 in-in in 8.1283 Saltbr-in 2.8349 HRD-in -70.21, -48.16 75.6, -7.91 in-in-out SNCiio in-out ActLoopNT-in 2.947 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, 152.31 APE9-dihe-na -57.56, 146.64 APE8-dihe-in -53.33, 139.32 APE8-rot-out 196.17 APE67-dihe-in -60.73, -25.67 -36.04, -48.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.8336 APE9-dist-in 3.8301 None None None XRAY 1.9 0.197 0.234 B 296.0 277.0 11 28 22 6 [[4, 286]] 1.0 4au8 Homo sapiens CMGC_CDK5_HUMAN CMGC 4.2e-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: Z3R

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