Ligand: A1BU5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 9MZZB
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
TKL RIPK1 RIPK1_HUMAN 9MZZA Q13546 7 294 671.0 A1BU5:301 Type1 Inactive DFGout 12.9057 8.7149 BBAminus -129.63, 157.79 -122.97, 63.36 -71.61, -28.69 296.96, 167.53 -66.19, -18.77 out-out out 13.4142 Saltbr-out 10.7534 HRD-in -66.17, -54.55 84.95, -22.88 out-out-out SNCooo out-out ActLoopNT-out 5.9436 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 55.12 APE8-dihe-in -81.45, 160.26 APE8-rot-out 213.74 APE67-dihe-in -62.06, -27.36 -115.15, 1.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.4241 None None None XRAY 2.68 0.229 0.272 A 288.0 266.0 22 41 27 14 [[17, 287]] 1.0 9mzz TKL_RIPK1_HUMAN TKL 1.1e-72 250.6 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1
TKL RIPK1 RIPK1_HUMAN 9MZZB Q13546 7 294 671.0 A1BU5:301 Type3 Inactive DFGout 12.9104 8.093 BBAminus -123.12, 159.01 -125.1, 65.1 -71.49, -24.77 295.21, 165.65 -63.79, -21.88 out-out out 13.7095 Saltbr-out 11.0643 HRD-in -62.15, -53.84 85.81, -19.41 out-out-out SNCooo out-out ActLoopNT-out 5.8314 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -52.81 APE8-dihe-out -60.77, -43.31 APE8-rot-out 60.81 APE67-dihe-in -60.82, -28.84 -40.61, -46.92 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.2252 None None None XRAY 2.68 0.229 0.272 B 288.0 273.0 15 41 30 11 [[17, 287]] 1.0 9mzz TKL_RIPK1_HUMAN TKL 1.1e-72 250.6 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1

Ligand: A1BU5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 9MZZB
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
TKL RIPK1 RIPK1_HUMAN 9MZZA Q13546 7 294 671.0 A1BU5:301 Type1 Inactive DFGout 12.9057 8.7149 BBAminus -129.63, 157.79 -122.97, 63.36 -71.61, -28.69 296.96, 167.53 -66.19, -18.77 out-out out 13.4142 Saltbr-out 10.7534 HRD-in -66.17, -54.55 84.95, -22.88 out-out-out SNCooo out-out ActLoopNT-out 5.9436 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 55.12 APE8-dihe-in -81.45, 160.26 APE8-rot-out 213.74 APE67-dihe-in -62.06, -27.36 -115.15, 1.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.4241 None None None XRAY 2.68 0.229 0.272 A 288.0 266.0 22 41 27 14 [[17, 287]] 1.0 9mzz Homo sapiens TKL_RIPK1_HUMAN TKL 1.1e-72 250.6 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1
TKL RIPK1 RIPK1_HUMAN 9MZZB Q13546 7 294 671.0 A1BU5:301 Type3 Inactive DFGout 12.9104 8.093 BBAminus -123.12, 159.01 -125.1, 65.1 -71.49, -24.77 295.21, 165.65 -63.79, -21.88 out-out out 13.7095 Saltbr-out 11.0643 HRD-in -62.15, -53.84 85.81, -19.41 out-out-out SNCooo out-out ActLoopNT-out 5.8314 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -52.81 APE8-dihe-out -60.77, -43.31 APE8-rot-out 60.81 APE67-dihe-in -60.82, -28.84 -40.61, -46.92 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.2252 None None None XRAY 2.68 0.229 0.272 B 288.0 273.0 15 41 30 11 [[17, 287]] 1.0 9mzz Homo sapiens TKL_RIPK1_HUMAN TKL 1.1e-72 250.6 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1

Ligand: A1BU5

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