Ligand: 3DW

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4QYGA
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
CAMK CHEK1 CHK1_HUMAN 4QYGA O14757 3 273 476.0 3DW:301 Type1 Active DFGin 6.7288 14.2318 BLAminus -130.14, 167.67 66.49, 85.89 -96.57, 24.99 292.46, 83.53 -66.91, -20.27 in-in in 8.613 Saltbr-in 2.6836 HRD-in -75.2, -47.38 77.56, 1.13 in-in-in SNCiii in-in ActLoopNT-in 2.9157 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -161.42, 169.22 APE9-dihe-na 118.09, -146.73 APE8-dihe-in -136.23, 118.9 APE8-rot-in 301.78 APE67-dihe-in -58.65, -24.95 -43.65, -51.64 APE12-dist-in 8.9226 APE11-dist-in 11.7792 APE10-dist-in 6.2262 APE9-dist-in 3.4104 None None None XRAY 1.75 0.185 0.214 A 298.0 264.0 7 30 30 0 [[9, 265]] 1.0 4qyg CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 4QYGB O14757 3 273 476.0 3DW:301 Type1 Active DFGin 6.8136 14.2603 BLAminus -131.28, 167.96 67.6, 84.41 -94.04, 25.62 290.63, 84.63 -68.09, -18.4 in-in in 8.6425 Saltbr-in 2.8151 HRD-in -74.82, -46.02 77.08, 2.44 in-in-in SNCiii in-in ActLoopNT-in 2.9456 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.14, 172.0 APE9-dihe-na 119.92, -148.59 APE8-dihe-in -135.99, 119.53 APE8-rot-in 301.26 APE67-dihe-in -57.64, -21.53 -47.69, -50.26 APE12-dist-in 9.2494 APE11-dist-in 11.721 APE10-dist-in 6.1493 APE9-dist-in 3.4564 None None None XRAY 1.75 0.185 0.214 B 298.0 264.0 7 30 30 0 [[9, 265]] 1.0 4qyg CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1

Ligand: 3DW

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4QYGA
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
CAMK CHEK1 CHK1_HUMAN 4QYGA O14757 3 273 476.0 3DW:301 Type1 Active DFGin 6.7288 14.2318 BLAminus -130.14, 167.67 66.49, 85.89 -96.57, 24.99 292.46, 83.53 -66.91, -20.27 in-in in 8.613 Saltbr-in 2.6836 HRD-in -75.2, -47.38 77.56, 1.13 in-in-in SNCiii in-in ActLoopNT-in 2.9157 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -161.42, 169.22 APE9-dihe-na 118.09, -146.73 APE8-dihe-in -136.23, 118.9 APE8-rot-in 301.78 APE67-dihe-in -58.65, -24.95 -43.65, -51.64 APE12-dist-in 8.9226 APE11-dist-in 11.7792 APE10-dist-in 6.2262 APE9-dist-in 3.4104 None None None XRAY 1.75 0.185 0.214 A 298.0 264.0 7 30 30 0 [[9, 265]] 1.0 4qyg Homo sapiens CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 4QYGB O14757 3 273 476.0 3DW:301 Type1 Active DFGin 6.8136 14.2603 BLAminus -131.28, 167.96 67.6, 84.41 -94.04, 25.62 290.63, 84.63 -68.09, -18.4 in-in in 8.6425 Saltbr-in 2.8151 HRD-in -74.82, -46.02 77.08, 2.44 in-in-in SNCiii in-in ActLoopNT-in 2.9456 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.14, 172.0 APE9-dihe-na 119.92, -148.59 APE8-dihe-in -135.99, 119.53 APE8-rot-in 301.26 APE67-dihe-in -57.64, -21.53 -47.69, -50.26 APE12-dist-in 9.2494 APE11-dist-in 11.721 APE10-dist-in 6.1493 APE9-dist-in 3.4564 None None None XRAY 1.75 0.185 0.214 B 298.0 264.0 7 30 30 0 [[9, 265]] 1.0 4qyg Homo sapiens CAMK_CHEK1_HUMAN CAMK 2.9e-71 245.7 2.0 256.0 255.0 147 148 149 151 153 38 55 59 127 129 128 130.0 190 177 172 171 170 169 168 167 166 85 Serine/threonine-protein kinase Chk1

Ligand: 3DW

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