Ligand: A1CNU

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% 9Q31A
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 9Q31B Q13546 9 294 671.0 TME:301,A1CNU:302 Allosteric,Type3 Inactive DFGout 13.9069 8.4354 BBAminus -122.3, 171.3 -132.12, 59.49 -65.75, -30.4 296.2, 168.06 -75.45, -4.09 out-out out 14.1833 Saltbr-out 12.2045 HRD-in -71.01, -56.22 86.95, -20.08 out-out-out SNCooo out-out ActLoopNT-out 6.1651 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -10.33 APE8-dihe-out -68.5, -12.13 APE8-rot-out 74.7 APE67-dihe-in -66.49, -21.33 -107.69, -0.4 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.1819 C34A,C127A,C233A,C240A None None XRAY 2.05 0.187 0.222 B 296.0 259.0 27 41 25 16 [[17, 287]] 1.0 9q31 TKL_RIPK1_HUMAN TKL 1.3e-72 250.5 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 9Q31A Q13546 7 294 671.0 A1CNU:301 Type3 Inactive DFGout 13.7345 8.2299 BBAminus -120.57, 170.34 -130.15, 58.16 -63.68, -22.9 293.63, 177.4 -82.91, 0.44 out-out out 13.8692 Saltbr-out 11.7605 HRD-in -67.33, -55.79 80.06, -9.46 out-out-out SNCooo out-out ActLoopNT-out 6.0883 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 147.72 APE8-rot-out 187.62 APE67-dihe-in -62.14, -27.07 -101.34, -1.75 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C34A,C127A,C233A,C240A None None XRAY 2.05 0.187 0.222 A 296.0 269.0 19 41 29 12 [[17, 287]] 1.0 9q31 TKL_RIPK1_HUMAN TKL 1.3e-72 250.5 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: A1CNU

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% 9Q31A
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 9Q31B Q13546 9 294 671.0 TME:301,A1CNU:302 Allosteric,Type3 Inactive DFGout 13.9069 8.4354 BBAminus -122.3, 171.3 -132.12, 59.49 -65.75, -30.4 296.2, 168.06 -75.45, -4.09 out-out out 14.1833 Saltbr-out 12.2045 HRD-in -71.01, -56.22 86.95, -20.08 out-out-out SNCooo out-out ActLoopNT-out 6.1651 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -10.33 APE8-dihe-out -68.5, -12.13 APE8-rot-out 74.7 APE67-dihe-in -66.49, -21.33 -107.69, -0.4 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.1819 C34A,C127A,C233A,C240A None None XRAY 2.05 0.187 0.222 B 296.0 259.0 27 41 25 16 [[17, 287]] 1.0 9q31 Homo sapiens TKL_RIPK1_HUMAN TKL 1.3e-72 250.5 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 9Q31A Q13546 7 294 671.0 A1CNU:301 Type3 Inactive DFGout 13.7345 8.2299 BBAminus -120.57, 170.34 -130.15, 58.16 -63.68, -22.9 293.63, 177.4 -82.91, 0.44 out-out out 13.8692 Saltbr-out 11.7605 HRD-in -67.33, -55.79 80.06, -9.46 out-out-out SNCooo out-out ActLoopNT-out 6.0883 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 147.72 APE8-rot-out 187.62 APE67-dihe-in -62.14, -27.07 -101.34, -1.75 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C34A,C127A,C233A,C240A None None XRAY 2.05 0.187 0.222 A 296.0 269.0 19 41 29 12 [[17, 287]] 1.0 9q31 Homo sapiens TKL_RIPK1_HUMAN TKL 1.3e-72 250.5 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: A1CNU

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