Ligand: LZ9

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% 4Y72A
DFGin BLBtrans 1 33.3% 2VTPA
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 CDK1 CDK1_HUMAN 4Y72A P06493 1 289 297.0 LZ9:60301 Type1 Inactive DFGin 7.685 14.7402 BLAminus -147.76, 167.42 62.0, 80.16 -98.31, 21.06 283.74, 78.65 -65.09, -13.07 in-in in 9.2392 Saltbr-in 2.9301 HRD-in -76.46, -54.64 83.39, -21.52 in-in-out SNCiio in-out ActLoopNT-in 2.721 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oioo APE10-dihe-na -81.01, 171.83 APE9-dihe-na -73.07, -57.25 APE8-dihe-in -133.62, 133.83 APE8-rot-out 189.36 APE67-dihe-in -61.37, -19.11 -108.24, -11.42 APE12-dist-out 14.1771 APE11-dist-in 13.2893 APE10-dist-out 9.3965 APE9-dist-out 11.2887 None None None XRAY 2.3 0.19 0.252 A 302.0 289.0 0 28 28 0 [[4, 287]] 1.0 4y72 CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1.0 301.0 301.0 145 146 147 149 151 33 51 55 125 127 126 128.0 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK1 CDK1_HUMAN 5HQ0A P06493 1 289 297.0 LZ9:60301 Type1 Inactive DFGin 7.685 14.7402 BLAminus -147.76, 167.42 62.0, 80.16 -98.31, 21.06 283.74, 78.65 -65.09, -13.07 in-in in 9.2392 Saltbr-in 2.9301 HRD-in -76.46, -54.64 83.39, -21.52 in-in-out SNCiio in-out ActLoopNT-in 2.721 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oioo APE10-dihe-na -81.01, 171.83 APE9-dihe-na -73.07, -57.25 APE8-dihe-in -133.62, 133.83 APE8-rot-out 189.36 APE67-dihe-in -61.37, -19.11 -108.24, -11.42 APE12-dist-out 14.1771 APE11-dist-in 13.2893 APE10-dist-out 9.3965 APE9-dist-out 11.2887 None None None XRAY 2.3 0.189 0.252 A 302.0 289.0 0 28 28 0 [[4, 287]] 1.0 5hq0 CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1.0 301.0 301.0 145 146 147 149 151 33 51 55 125 127 126 128.0 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 2VTPA P24941 1 298 298.0 LZ9:1299 Type1 Inactive DFGin 10.1319 18.0288 BLBtrans -104.49, 153.05 65.1, 24.04 -59.74, 134.35 220.34, 118.07 73.64, -15.52 out-out out 14.4451 Saltbr-out 15.9908 HRD-in -77.26, -54.17 79.25, -11.7 out-out-out SNCooo out-out ActLoopNT-out 5.9235 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -72.1, 128.96 APE9-dihe-na -78.85, 134.77 APE8-dihe-in -71.14, 143.67 APE8-rot-out 185.57 APE67-dihe-in -56.09, -28.32 -107.11, -2.38 APE12-dist-none 999.0 APE11-dist-out 17.3449 APE10-dist-out 19.1733 APE9-dist-out 10.6038 None None None XRAY 2.15 0.189 0.247 A 298.0 281.0 17 28 19 9 [[4, 286]] 1.0 2vtp 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: LZ9

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% 4Y72A
DFGin BLBtrans 1 33.3% 2VTPA
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 CDK1 CDK1_HUMAN 4Y72A P06493 1 289 297.0 LZ9:60301 Type1 Inactive DFGin 7.685 14.7402 BLAminus -147.76, 167.42 62.0, 80.16 -98.31, 21.06 283.74, 78.65 -65.09, -13.07 in-in in 9.2392 Saltbr-in 2.9301 HRD-in -76.46, -54.64 83.39, -21.52 in-in-out SNCiio in-out ActLoopNT-in 2.721 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oioo APE10-dihe-na -81.01, 171.83 APE9-dihe-na -73.07, -57.25 APE8-dihe-in -133.62, 133.83 APE8-rot-out 189.36 APE67-dihe-in -61.37, -19.11 -108.24, -11.42 APE12-dist-out 14.1771 APE11-dist-in 13.2893 APE10-dist-out 9.3965 APE9-dist-out 11.2887 None None None XRAY 2.3 0.19 0.252 A 302.0 289.0 0 28 28 0 [[4, 287]] 1.0 4y72 Homo sapiens CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1.0 301.0 301.0 145 146 147 149 151 33 51 55 125 127 126 128.0 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK1 CDK1_HUMAN 5HQ0A P06493 1 289 297.0 LZ9:60301 Type1 Inactive DFGin 7.685 14.7402 BLAminus -147.76, 167.42 62.0, 80.16 -98.31, 21.06 283.74, 78.65 -65.09, -13.07 in-in in 9.2392 Saltbr-in 2.9301 HRD-in -76.46, -54.64 83.39, -21.52 in-in-out SNCiio in-out ActLoopNT-in 2.721 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oioo APE10-dihe-na -81.01, 171.83 APE9-dihe-na -73.07, -57.25 APE8-dihe-in -133.62, 133.83 APE8-rot-out 189.36 APE67-dihe-in -61.37, -19.11 -108.24, -11.42 APE12-dist-out 14.1771 APE11-dist-in 13.2893 APE10-dist-out 9.3965 APE9-dist-out 11.2887 None None None XRAY 2.3 0.189 0.252 A 302.0 289.0 0 28 28 0 [[4, 287]] 1.0 5hq0 Homo sapiens CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1.0 301.0 301.0 145 146 147 149 151 33 51 55 125 127 126 128.0 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 2VTPA P24941 1 298 298.0 LZ9:1299 Type1 Inactive DFGin 10.1319 18.0288 BLBtrans -104.49, 153.05 65.1, 24.04 -59.74, 134.35 220.34, 118.07 73.64, -15.52 out-out out 14.4451 Saltbr-out 15.9908 HRD-in -77.26, -54.17 79.25, -11.7 out-out-out SNCooo out-out ActLoopNT-out 5.9235 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -72.1, 128.96 APE9-dihe-na -78.85, 134.77 APE8-dihe-in -71.14, 143.67 APE8-rot-out 185.57 APE67-dihe-in -56.09, -28.32 -107.11, -2.38 APE12-dist-none 999.0 APE11-dist-out 17.3449 APE10-dist-out 19.1733 APE9-dist-out 10.6038 None None None XRAY 2.15 0.189 0.247 A 298.0 281.0 17 28 19 9 [[4, 286]] 1.0 2vtp 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: LZ9

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