Ligand: O4U

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% 8I2NA
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 8I2NA Q13546 7 294 671.0 O4U:301 Type1 Inactive DFGout 14.5869 9.8778 BBAminus -132.39, 179.54 -138.91, 72.44 -59.66, -22.13 308.47, 178.68 -72.09, -21.19 out-out out 14.3799 Saltbr-out 12.6212 HRD-out -74.72, 150.84 -121.92, -0.64 out-out-out SNCooo out-out ActLoopNT-out 7.3047 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, 165.9 APE9-dihe-na 80.3, -2.56 APE8-dihe-out -86.5, -17.61 APE8-rot-out 67.69 APE67-dihe-in -64.62, -33.64 -56.41, -33.79 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.8346 APE9-dist-out 10.9728 C34A,C127A,C233A,C240A None None XRAY 2.29 0.217 0.245 A 294.0 274.0 14 41 31 10 [[17, 287]] 1.0 8i2n TKL_RIPK1_HUMAN TKL 1.2e-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 8I2NB Q13546 7 294 671.0 O4U:301 Type2 Inactive DFGout 14.697 10.0399 BBAminus -125.25, 179.41 -140.6, 77.45 -64.03, -29.8 306.36, 179.39 -76.08, -10.88 out-out out 14.3451 Saltbr-out 12.2725 HRD-out -90.28, 98.28 -71.05, -2.88 out-out-out SNCooo out-out ActLoopNT-out 6.7675 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, 36.59 APE9-dihe-na -60.07, -33.91 APE8-dihe-out -70.17, -30.34 APE8-rot-out 44.28 APE67-dihe-in -58.09, -33.7 -66.92, -25.73 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 19.4298 APE9-dist-out 13.0835 C34A,C127A,C233A,C240A None None XRAY 2.29 0.217 0.245 B 294.0 263.0 25 41 25 16 [[17, 287]] 1.0 8i2n TKL_RIPK1_HUMAN TKL 1.2e-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: O4U

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% 8I2NA
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 8I2NA Q13546 7 294 671.0 O4U:301 Type1 Inactive DFGout 14.5869 9.8778 BBAminus -132.39, 179.54 -138.91, 72.44 -59.66, -22.13 308.47, 178.68 -72.09, -21.19 out-out out 14.3799 Saltbr-out 12.6212 HRD-out -74.72, 150.84 -121.92, -0.64 out-out-out SNCooo out-out ActLoopNT-out 7.3047 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, 165.9 APE9-dihe-na 80.3, -2.56 APE8-dihe-out -86.5, -17.61 APE8-rot-out 67.69 APE67-dihe-in -64.62, -33.64 -56.41, -33.79 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.8346 APE9-dist-out 10.9728 C34A,C127A,C233A,C240A None None XRAY 2.29 0.217 0.245 A 294.0 274.0 14 41 31 10 [[17, 287]] 1.0 8i2n Homo sapiens TKL_RIPK1_HUMAN TKL 1.2e-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 8I2NB Q13546 7 294 671.0 O4U:301 Type2 Inactive DFGout 14.697 10.0399 BBAminus -125.25, 179.41 -140.6, 77.45 -64.03, -29.8 306.36, 179.39 -76.08, -10.88 out-out out 14.3451 Saltbr-out 12.2725 HRD-out -90.28, 98.28 -71.05, -2.88 out-out-out SNCooo out-out ActLoopNT-out 6.7675 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, 36.59 APE9-dihe-na -60.07, -33.91 APE8-dihe-out -70.17, -30.34 APE8-rot-out 44.28 APE67-dihe-in -58.09, -33.7 -66.92, -25.73 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 19.4298 APE9-dist-out 13.0835 C34A,C127A,C233A,C240A None None XRAY 2.29 0.217 0.245 B 294.0 263.0 25 41 25 16 [[17, 287]] 1.0 8i2n Homo sapiens TKL_RIPK1_HUMAN TKL 1.2e-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: O4U

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