Ligand: A1D97

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 9LFUB
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 RIPK3 RIPK3_HUMAN 9LFUA Q9Y572 5 308 518.0 A1D97:401 Type1.5_Back Inactive DFGin 5.9961 13.6864 BLBplus -135.94, 163.32 62.81, 12.82 -63.97, 140.04 54.41, 91.52 80.44, -7.15 out-out out 16.21 Saltbr-out 17.0199 HRD-in -75.3, -56.71 75.7, -2.94 out-out-none SNCoon out-none ActLoopNT-out 6.7926 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -51.02 APE8-rot-in 298.84 APE67-dihe-in -66.45, -10.27 -90.56, 12.65 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C3S,C110A None None XRAY 2.93 0.261 0.319 A 346.0 284.0 20 30 18 12 [[21, 285]] 1.0 9lfu TKL_RIPK3_HUMAN TKL 9.8e-66 228.1 1.0 265.0 265.0 159 160 161 163 165 50 60 64 139 141 140 142.0 203 189 184 183 182 181 180 179 178 95 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_HUMAN 9LFUB Q9Y572 5 309 518.0 A1D97:401 Type1.5_Back Inactive DFGin 5.8067 13.6466 BLBplus -133.71, 159.3 64.19, 14.67 -64.66, 136.35 58.15, 93.86 79.55, -9.57 out-out out 16.2477 Saltbr-out 17.2752 HRD-in -84.97, -58.34 80.02, -12.81 out-out-out SNCooo out-out ActLoopNT-out 6.7265 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, -86.85 APE8-rot-out 57.93 APE67-dihe-in -57.35, -12.11 -95.41, 2.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C3S,C110A None None XRAY 2.93 0.261 0.319 B 346.0 286.0 19 30 16 14 [[21, 285]] 1.0 9lfu TKL_RIPK3_HUMAN TKL 9.8e-66 228.1 1.0 265.0 265.0 159 160 161 163 165 50 60 64 139 141 140 142.0 203 189 184 183 182 181 180 179 178 95 Receptor-interacting serine/threonine-protein kinase 3

Ligand: A1D97

Total number of chains: 5
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 60.0% 9LFWA
DFGin BLAminus 1 20.0% 9IWYA
DFGin None 1 20.0% 9IWYB
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 RIPK3 RIPK3_HUMAN 9LFUA Q9Y572 5 308 518.0 A1D97:401 Type1.5_Back Inactive DFGin 5.9961 13.6864 BLBplus -135.94, 163.32 62.81, 12.82 -63.97, 140.04 54.41, 91.52 80.44, -7.15 out-out out 16.21 Saltbr-out 17.0199 HRD-in -75.3, -56.71 75.7, -2.94 out-out-none SNCoon out-none ActLoopNT-out 6.7926 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -51.02 APE8-rot-in 298.84 APE67-dihe-in -66.45, -10.27 -90.56, 12.65 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C3S,C110A None None XRAY 2.93 0.261 0.319 A 346.0 284.0 20 30 18 12 [[21, 285]] 1.0 9lfu Homo sapiens TKL_RIPK3_HUMAN TKL 9.8e-66 228.1 1.0 265.0 265.0 159 160 161 163 165 50 60 64 139 141 140 142.0 203 189 184 183 182 181 180 179 178 95 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_HUMAN 9LFUB Q9Y572 5 309 518.0 A1D97:401 Type1.5_Back Inactive DFGin 5.8067 13.6466 BLBplus -133.71, 159.3 64.19, 14.67 -64.66, 136.35 58.15, 93.86 79.55, -9.57 out-out out 16.2477 Saltbr-out 17.2752 HRD-in -84.97, -58.34 80.02, -12.81 out-out-out SNCooo out-out ActLoopNT-out 6.7265 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, -86.85 APE8-rot-out 57.93 APE67-dihe-in -57.35, -12.11 -95.41, 2.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C3S,C110A None None XRAY 2.93 0.261 0.319 B 346.0 286.0 19 30 16 14 [[21, 285]] 1.0 9lfu Homo sapiens TKL_RIPK3_HUMAN TKL 9.8e-66 228.1 1.0 265.0 265.0 159 160 161 163 165 50 60 64 139 141 140 142.0 203 189 184 183 182 181 180 179 178 95 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_MOUSE 9IWYA Q9QZL0 15 311 486.0 A1D97:60401 Type1 None DFGin 7.3813 13.3146 BLAminus -145.3, 163.78 57.87, 69.65 -81.11, 58.68 314.75, 92.73 105.23, 999.0 none-none none 999.0 Saltbr-none 999.0 HRD-in -67.94, -45.69 67.4, -3.27 none-none-none SNCnnn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, -54.74 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.52 0.27 0.299 A 325.0 243.0 54 34 9 25 [[20, 290]] 1.0 9iwy Mus musculus TKL_RIPK3_MOUSE TKL 5e-60 209.3 3.0 265.0 263.0 160 161 162 164 166 51 61 65 140 142 141 143.0 208 194 189 188 187 186 185 184 183 96 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_MOUSE 9LFWA Q9QZL0 5 312 486.0 A1D97:60401 Type1.5_Back Inactive DFGin 6.5845 13.1257 BLBplus -131.15, 162.08 64.23, 14.69 -67.09, 146.1 51.36, 90.93 77.16, -15.72 out-out out 15.9782 Saltbr-out 17.1555 HRD-in -70.85, -60.94 79.59, -9.5 out-out-out SNCooo out-out ActLoopNT-out 6.3401 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, 156.06 APE8-rot-out 186.0 APE67-dihe-in -61.62, -27.57 -97.1, 3.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 R69H None None XRAY 1.59 0.204 0.238 A 325.0 290.0 18 34 16 18 [[20, 290]] 1.0 9lfw Mus musculus TKL_RIPK3_MOUSE TKL 7.7e-60 208.6 3.0 265.0 263.0 160 161 162 164 166 51 61 65 140 142 141 143.0 208 194 189 188 187 186 185 184 183 96 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_MOUSE 9IWYB Q9QZL0 15 311 486.0 A1D97:60401 Type1 Inactive DFGin 6.9678 14.0618 None -141.15, 157.34 72.96, -21.93 37.23, 42.97 300.12, 81.7 83.46, 13.22 in-none in 9.1083 Saltbr-none 999.0 HRD-in -65.47, -42.38 68.5, -9.87 none-none-none SNCnnn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, -44.45 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.52 0.27 0.299 B 325.0 249.0 48 34 11 23 [[20, 290]] 1.0 9iwy Mus musculus TKL_RIPK3_MOUSE TKL 5e-60 209.3 3.0 265.0 263.0 160 161 162 164 166 51 61 65 140 142 141 143.0 208 194 189 188 187 186 185 184 183 96 Receptor-interacting serine/threonine-protein kinase 3

Ligand: A1D97

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 33.3% 9IWYA
DFGin BLBplus 1 33.3% 9LFWA
DFGin None 1 33.3% 9IWYB
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 RIPK3 RIPK3_MOUSE 9IWYA Q9QZL0 15 311 486.0 A1D97:60401 Type1 None DFGin 7.3813 13.3146 BLAminus -145.3, 163.78 57.87, 69.65 -81.11, 58.68 314.75, 92.73 105.23, 999.0 none-none none 999.0 Saltbr-none 999.0 HRD-in -67.94, -45.69 67.4, -3.27 none-none-none SNCnnn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, -54.74 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.52 0.27 0.299 A 325.0 243.0 54 34 9 25 [[20, 290]] 1.0 9iwy Mus musculus TKL_RIPK3_MOUSE TKL 5e-60 209.3 3.0 265.0 263.0 160 161 162 164 166 51 61 65 140 142 141 143.0 208 194 189 188 187 186 185 184 183 96 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_MOUSE 9LFWA Q9QZL0 5 312 486.0 A1D97:60401 Type1.5_Back Inactive DFGin 6.5845 13.1257 BLBplus -131.15, 162.08 64.23, 14.69 -67.09, 146.1 51.36, 90.93 77.16, -15.72 out-out out 15.9782 Saltbr-out 17.1555 HRD-in -70.85, -60.94 79.59, -9.5 out-out-out SNCooo out-out ActLoopNT-out 6.3401 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, 156.06 APE8-rot-out 186.0 APE67-dihe-in -61.62, -27.57 -97.1, 3.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 R69H None None XRAY 1.59 0.204 0.238 A 325.0 290.0 18 34 16 18 [[20, 290]] 1.0 9lfw Mus musculus TKL_RIPK3_MOUSE TKL 7.7e-60 208.6 3.0 265.0 263.0 160 161 162 164 166 51 61 65 140 142 141 143.0 208 194 189 188 187 186 185 184 183 96 Receptor-interacting serine/threonine-protein kinase 3
TKL RIPK3 RIPK3_MOUSE 9IWYB Q9QZL0 15 311 486.0 A1D97:60401 Type1 Inactive DFGin 6.9678 14.0618 None -141.15, 157.34 72.96, -21.93 37.23, 42.97 300.12, 81.7 83.46, 13.22 in-none in 9.1083 Saltbr-none 999.0 HRD-in -65.47, -42.38 68.5, -9.87 none-none-none SNCnnn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, -44.45 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.52 0.27 0.299 B 325.0 249.0 48 34 11 23 [[20, 290]] 1.0 9iwy Mus musculus TKL_RIPK3_MOUSE TKL 5e-60 209.3 3.0 265.0 263.0 160 161 162 164 166 51 61 65 140 142 141 143.0 208 194 189 188 187 186 185 184 183 96 Receptor-interacting serine/threonine-protein kinase 3