Ligand: U0Q

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% 7BJXA
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 7BJXA O14757 8 270 476.0 U0Q:301 Type1 Active DFGin 6.9684 14.0128 BLAminus -119.16, 168.61 74.53, 87.65 -98.83, 25.0 288.63, 92.62 -71.16, -25.36 in-in in 8.842 Saltbr-in 2.7315 HRD-in -66.51, -58.83 81.76, -3.62 in-in-in SNCiii in-in ActLoopNT-in 2.8993 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -162.31, 174.42 APE9-dihe-na 110.98, -158.13 APE8-dihe-in -122.51, 124.96 APE8-rot-in 305.1 APE67-dihe-in -66.42, -15.88 -52.33, -43.64 APE12-dist-in 8.8147 APE11-dist-in 11.5468 APE10-dist-in 6.1026 APE9-dist-in 3.5124 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.4 0.204 0.26 A 297.0 255.0 8 30 30 0 [[9, 265]] 1.0 7bjx 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
CAMK CHEK1 CHK1_HUMAN 7BJXB O14757 8 270 476.0 U0Q:301 Type1 Active DFGin 7.0085 13.8789 BLAminus -129.53, 170.8 70.69, 86.19 -101.81, 34.09 285.2, 93.96 -77.01, -26.91 in-in in 9.0871 Saltbr-in 3.2657 HRD-in -62.72, -54.04 75.21, -2.93 in-in-in SNCiii in-in ActLoopNT-in 2.9044 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.42, 172.2 APE9-dihe-na 111.07, -153.42 APE8-dihe-in -130.98, 128.58 APE8-rot-in 299.81 APE67-dihe-in -59.32, -22.77 -56.3, -49.67 APE12-dist-in 8.5868 APE11-dist-in 11.5657 APE10-dist-in 6.0222 APE9-dist-in 3.6207 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.4 0.204 0.26 B 297.0 252.0 11 30 30 0 [[9, 265]] 1.0 7bjx 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: U0Q

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% 7BJXA
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 7BJXA O14757 8 270 476.0 U0Q:301 Type1 Active DFGin 6.9684 14.0128 BLAminus -119.16, 168.61 74.53, 87.65 -98.83, 25.0 288.63, 92.62 -71.16, -25.36 in-in in 8.842 Saltbr-in 2.7315 HRD-in -66.51, -58.83 81.76, -3.62 in-in-in SNCiii in-in ActLoopNT-in 2.8993 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -162.31, 174.42 APE9-dihe-na 110.98, -158.13 APE8-dihe-in -122.51, 124.96 APE8-rot-in 305.1 APE67-dihe-in -66.42, -15.88 -52.33, -43.64 APE12-dist-in 8.8147 APE11-dist-in 11.5468 APE10-dist-in 6.1026 APE9-dist-in 3.5124 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.4 0.204 0.26 A 297.0 255.0 8 30 30 0 [[9, 265]] 1.0 7bjx 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
CAMK CHEK1 CHK1_HUMAN 7BJXB O14757 8 270 476.0 U0Q:301 Type1 Active DFGin 7.0085 13.8789 BLAminus -129.53, 170.8 70.69, 86.19 -101.81, 34.09 285.2, 93.96 -77.01, -26.91 in-in in 9.0871 Saltbr-in 3.2657 HRD-in -62.72, -54.04 75.21, -2.93 in-in-in SNCiii in-in ActLoopNT-in 2.9044 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.42, 172.2 APE9-dihe-na 111.07, -153.42 APE8-dihe-in -130.98, 128.58 APE8-rot-in 299.81 APE67-dihe-in -59.32, -22.77 -56.3, -49.67 APE12-dist-in 8.5868 APE11-dist-in 11.5657 APE10-dist-in 6.0222 APE9-dist-in 3.6207 N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S None None XRAY 2.4 0.204 0.26 B 297.0 252.0 11 30 30 0 [[9, 265]] 1.0 7bjx 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: U0Q

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