Ligand: WXH

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% 8SV9A
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
OTHER ULK1 ULK1_HUMAN 8SV9A O75385 8 281 1050.0 WXH:301 Type1 Active DFGin 6.94 14.7508 BLAminus -126.52, 178.79 60.93, 80.98 -104.21, 19.42 281.54, 74.44 -66.53, -27.97 in-in in 7.8754 Saltbr-in 2.6529 HRD-in -85.13, -55.58 75.51, 7.4 in-in-in SNCiii in-in ActLoopNT-in 3.0876 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -147.27, 171.5 APE9-dihe-na 101.37, -176.67 APE8-dihe-in -95.03, 127.96 APE8-rot-in 279.07 APE67-dihe-in -64.45, -23.77 -53.92, -38.4 APE12-dist-in 8.2953 APE11-dist-in 11.1315 APE10-dist-in 5.6102 APE9-dist-in 3.476 E37A,K38A SEP87,TPO180 SEP87,TPO180 XRAY 2.3 0.212 0.247 A 283.0 274.0 0 27 27 0 [[14, 278]] 1.0 8sv9 OTHER_ULK1_HUMAN ULK 1.9e-132 446.2 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8SV9B O75385 8 281 1050.0 WXH:301 Type1 Active DFGin 6.7845 14.6143 BLAminus -125.39, 179.44 61.46, 77.34 -99.69, 22.49 284.79, 77.46 -66.39, -27.05 in-in in 7.6764 Saltbr-in 2.5887 HRD-in -86.07, -52.27 71.86, 10.31 in-in-in SNCiii in-in ActLoopNT-in 3.0548 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.77, 164.69 APE9-dihe-na 107.1, -175.83 APE8-dihe-in -100.66, 125.95 APE8-rot-in 306.98 APE67-dihe-in -62.72, -18.2 -53.9, -41.51 APE12-dist-in 8.2917 APE11-dist-in 11.2158 APE10-dist-in 5.6801 APE9-dist-in 3.4972 E37A,K38A SEP87,TPO180 SEP87,TPO180 XRAY 2.3 0.212 0.247 B 283.0 274.0 0 27 27 0 [[14, 278]] 1.0 8sv9 OTHER_ULK1_HUMAN ULK 1.9e-132 446.2 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1

Ligand: WXH

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% 8SV9A
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
OTHER ULK1 ULK1_HUMAN 8SV9A O75385 8 281 1050.0 WXH:301 Type1 Active DFGin 6.94 14.7508 BLAminus -126.52, 178.79 60.93, 80.98 -104.21, 19.42 281.54, 74.44 -66.53, -27.97 in-in in 7.8754 Saltbr-in 2.6529 HRD-in -85.13, -55.58 75.51, 7.4 in-in-in SNCiii in-in ActLoopNT-in 3.0876 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -147.27, 171.5 APE9-dihe-na 101.37, -176.67 APE8-dihe-in -95.03, 127.96 APE8-rot-in 279.07 APE67-dihe-in -64.45, -23.77 -53.92, -38.4 APE12-dist-in 8.2953 APE11-dist-in 11.1315 APE10-dist-in 5.6102 APE9-dist-in 3.476 E37A,K38A SEP87,TPO180 SEP87,TPO180 XRAY 2.3 0.212 0.247 A 283.0 274.0 0 27 27 0 [[14, 278]] 1.0 8sv9 Homo sapiens OTHER_ULK1_HUMAN ULK 1.9e-132 446.2 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1
OTHER ULK1 ULK1_HUMAN 8SV9B O75385 8 281 1050.0 WXH:301 Type1 Active DFGin 6.7845 14.6143 BLAminus -125.39, 179.44 61.46, 77.34 -99.69, 22.49 284.79, 77.46 -66.39, -27.05 in-in in 7.6764 Saltbr-in 2.5887 HRD-in -86.07, -52.27 71.86, 10.31 in-in-in SNCiii in-in ActLoopNT-in 3.0548 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.77, 164.69 APE9-dihe-na 107.1, -175.83 APE8-dihe-in -100.66, 125.95 APE8-rot-in 306.98 APE67-dihe-in -62.72, -18.2 -53.9, -41.51 APE12-dist-in 8.2917 APE11-dist-in 11.2158 APE10-dist-in 5.6801 APE9-dist-in 3.4972 E37A,K38A SEP87,TPO180 SEP87,TPO180 XRAY 2.3 0.212 0.247 B 283.0 274.0 0 27 27 0 [[14, 278]] 1.0 8sv9 Homo sapiens OTHER_ULK1_HUMAN ULK 1.9e-132 446.2 1.0 256.0 256.0 164 165 166 168 170 46 63 67 135 137 136 138.0 203 191 186 185 184 183 182 181 180 93 Serine/threonine-protein kinase ULK1

Ligand: WXH

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