Ligand: TVW

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% 7BKOA
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 7BKOA O14757 7 271 476.0 TVW:301 Type1 Active DFGin 7.5466 14.6856 BLAminus -131.7, 142.84 75.6, 98.75 -102.17, 27.33 285.76, 86.92 -59.85, -38.14 in-in in 9.0098 Saltbr-in 2.7194 HRD-in -80.43, -45.24 72.06, 16.06 in-in-in SNCiii in-in ActLoopNT-in 2.9313 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -177.56, 177.47 APE9-dihe-na 109.29, -153.33 APE8-dihe-in -121.47, 124.07 APE8-rot-in 300.96 APE67-dihe-in -54.02, -14.59 -49.3, -62.95 APE12-dist-in 9.0717 APE11-dist-in 11.5532 APE10-dist-in 6.2909 APE9-dist-in 3.2702 None None None XRAY 2.3 0.246 0.331 A 297.0 259.0 6 30 30 0 [[9, 265]] 1.0 7bko 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 7BJJA O14757 3 270 476.0 TVW:301 Type1 Active DFGin 7.0647 13.6586 BLAminus -124.47, 161.87 75.65, 95.41 -106.95, 21.08 288.5, 86.21 -71.04, -20.76 in-in in 9.294 Saltbr-in 2.9323 HRD-in -76.46, -47.86 74.54, -0.21 in-in-in SNCiii in-in ActLoopNT-in 2.9014 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.52, 179.25 APE9-dihe-na 107.66, -150.8 APE8-dihe-in -135.65, 121.21 APE8-rot-in 299.15 APE67-dihe-in -63.43, -20.51 -51.77, -45.13 APE12-dist-in 9.1135 APE11-dist-in 11.7104 APE10-dist-in 6.2562 APE9-dist-in 3.3373 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.8 0.173 0.199 A 297.0 260.0 8 30 30 0 [[9, 265]] 1.0 7bjj CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 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: TVW

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% 7BKOA
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 7BKOA O14757 7 271 476.0 TVW:301 Type1 Active DFGin 7.5466 14.6856 BLAminus -131.7, 142.84 75.6, 98.75 -102.17, 27.33 285.76, 86.92 -59.85, -38.14 in-in in 9.0098 Saltbr-in 2.7194 HRD-in -80.43, -45.24 72.06, 16.06 in-in-in SNCiii in-in ActLoopNT-in 2.9313 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -177.56, 177.47 APE9-dihe-na 109.29, -153.33 APE8-dihe-in -121.47, 124.07 APE8-rot-in 300.96 APE67-dihe-in -54.02, -14.59 -49.3, -62.95 APE12-dist-in 9.0717 APE11-dist-in 11.5532 APE10-dist-in 6.2909 APE9-dist-in 3.2702 None None None XRAY 2.3 0.246 0.331 A 297.0 259.0 6 30 30 0 [[9, 265]] 1.0 7bko 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 7BJJA O14757 3 270 476.0 TVW:301 Type1 Active DFGin 7.0647 13.6586 BLAminus -124.47, 161.87 75.65, 95.41 -106.95, 21.08 288.5, 86.21 -71.04, -20.76 in-in in 9.294 Saltbr-in 2.9323 HRD-in -76.46, -47.86 74.54, -0.21 in-in-in SNCiii in-in ActLoopNT-in 2.9014 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -159.52, 179.25 APE9-dihe-na 107.66, -150.8 APE8-dihe-in -135.65, 121.21 APE8-rot-in 299.15 APE67-dihe-in -63.43, -20.51 -51.77, -45.13 APE12-dist-in 9.1135 APE11-dist-in 11.7104 APE10-dist-in 6.2562 APE9-dist-in 3.3373 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 1.8 0.173 0.199 A 297.0 260.0 8 30 30 0 [[9, 265]] 1.0 7bjj Homo sapiens CAMK_CHEK1_HUMAN CAMK 4.8e-69 238.4 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: TVW

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