Ligand: A1D96

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 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

Ligand: A1D96

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9IWWA
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 9IWWA Q9QZL0 13 312 486.0 A1D96:401 Type1.5_Back None DFGin 5.9859 13.4372 BLAminus -144.16, 173.05 63.98, 84.62 -101.11, 24.14 300.74, 93.26 -71.71, -26.9 in-in in 8.0882 Saltbr-in 2.8875 HRD-in -71.21, -48.68 73.29, -5.08 in-in-none SNCiin in-none ActLoopNT-in 2.7148 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, -153.01 APE9-dihe-na 106.36, 163.97 APE8-dihe-in -82.15, 128.32 APE8-rot-in 297.93 APE67-dihe-in -63.89, -25.3 -71.15, -26.95 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 7.4108 APE9-dist-in 5.4076 None None None XRAY 1.93 0.183 0.209 A 325.0 284.0 16 34 18 16 [[20, 290]] 1.0 9iww 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 9IWWB Q9QZL0 13 313 486.0 A1D96:401 Type1.5_Back Inactive DFGin 5.9926 13.5513 BLAminus -143.56, 174.68 61.93, 81.26 -97.31, 23.35 302.29, 97.52 -69.97, -24.78 in-in in 8.395 Saltbr-in 2.8944 HRD-in -65.13, -51.7 74.4, -3.35 in-in-out SNCiio in-out ActLoopNT-in 2.7112 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -147.97, -2.69 APE9-dihe-na -82.83, -170.1 APE8-dihe-in -66.65, 153.26 APE8-rot-out 178.53 APE67-dihe-in -65.76, -22.0 -107.76, 6.47 APE12-dist-out 6.0988 APE11-dist-out 7.592 APE10-dist-out 11.2487 APE9-dist-out 9.921 None None None XRAY 1.93 0.183 0.209 B 325.0 274.0 27 34 20 14 [[20, 290]] 1.0 9iww 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 9IWXA Q9QZL0 14 311 486.0 A1D96:401 Type1.5_Back None DFGin 6.4847 13.8364 BLAminus -139.34, 174.94 62.89, 84.12 -98.91, 17.96 292.01, 88.18 -69.55, -33.91 in-in in 8.0849 Saltbr-in 2.7899 HRD-in -70.26, -48.65 73.87, -6.66 in-in-none SNCiin in-none ActLoopNT-in 2.711 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, 126.28 APE8-rot-in 301.73 APE67-dihe-in -62.28, -24.57 -68.16, -31.54 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 R69H None None XRAY 1.99 0.189 0.236 A 325.0 280.0 18 34 16 18 [[20, 290]] 1.0 9iwx 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 9IWXB Q9QZL0 14 313 486.0 A1D96:401 Type1.5_Back Inactive DFGin 6.3753 13.8393 BLAminus -141.47, 172.49 62.47, 82.69 -97.63, 22.27 297.98, 86.87 -70.61, -24.89 in-in in 8.3904 Saltbr-in 2.9072 HRD-in -67.61, -51.07 72.36, -2.33 in-in-out SNCiio in-out ActLoopNT-in 2.8062 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 13.18 APE9-dihe-na -80.39, -173.32 APE8-dihe-in -63.1, 154.41 APE8-rot-out 170.77 APE67-dihe-in -64.75, -25.15 -109.43, 9.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 11.098 APE9-dist-out 9.8361 R69H None None XRAY 1.99 0.189 0.236 B 325.0 270.0 30 34 18 16 [[20, 290]] 1.0 9iwx 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

Ligand: A1D96

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9IWWA
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 9IWWA Q9QZL0 13 312 486.0 A1D96:401 Type1.5_Back None DFGin 5.9859 13.4372 BLAminus -144.16, 173.05 63.98, 84.62 -101.11, 24.14 300.74, 93.26 -71.71, -26.9 in-in in 8.0882 Saltbr-in 2.8875 HRD-in -71.21, -48.68 73.29, -5.08 in-in-none SNCiin in-none ActLoopNT-in 2.7148 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, -153.01 APE9-dihe-na 106.36, 163.97 APE8-dihe-in -82.15, 128.32 APE8-rot-in 297.93 APE67-dihe-in -63.89, -25.3 -71.15, -26.95 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 7.4108 APE9-dist-in 5.4076 None None None XRAY 1.93 0.183 0.209 A 325.0 284.0 16 34 18 16 [[20, 290]] 1.0 9iww 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 9IWWB Q9QZL0 13 313 486.0 A1D96:401 Type1.5_Back Inactive DFGin 5.9926 13.5513 BLAminus -143.56, 174.68 61.93, 81.26 -97.31, 23.35 302.29, 97.52 -69.97, -24.78 in-in in 8.395 Saltbr-in 2.8944 HRD-in -65.13, -51.7 74.4, -3.35 in-in-out SNCiio in-out ActLoopNT-in 2.7112 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -147.97, -2.69 APE9-dihe-na -82.83, -170.1 APE8-dihe-in -66.65, 153.26 APE8-rot-out 178.53 APE67-dihe-in -65.76, -22.0 -107.76, 6.47 APE12-dist-out 6.0988 APE11-dist-out 7.592 APE10-dist-out 11.2487 APE9-dist-out 9.921 None None None XRAY 1.93 0.183 0.209 B 325.0 274.0 27 34 20 14 [[20, 290]] 1.0 9iww 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 9IWXA Q9QZL0 14 311 486.0 A1D96:401 Type1.5_Back None DFGin 6.4847 13.8364 BLAminus -139.34, 174.94 62.89, 84.12 -98.91, 17.96 292.01, 88.18 -69.55, -33.91 in-in in 8.0849 Saltbr-in 2.7899 HRD-in -70.26, -48.65 73.87, -6.66 in-in-none SNCiin in-none ActLoopNT-in 2.711 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, 126.28 APE8-rot-in 301.73 APE67-dihe-in -62.28, -24.57 -68.16, -31.54 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 R69H None None XRAY 1.99 0.189 0.236 A 325.0 280.0 18 34 16 18 [[20, 290]] 1.0 9iwx 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 9IWXB Q9QZL0 14 313 486.0 A1D96:401 Type1.5_Back Inactive DFGin 6.3753 13.8393 BLAminus -141.47, 172.49 62.47, 82.69 -97.63, 22.27 297.98, 86.87 -70.61, -24.89 in-in in 8.3904 Saltbr-in 2.9072 HRD-in -67.61, -51.07 72.36, -2.33 in-in-out SNCiio in-out ActLoopNT-in 2.8062 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 13.18 APE9-dihe-na -80.39, -173.32 APE8-dihe-in -63.1, 154.41 APE8-rot-out 170.77 APE67-dihe-in -64.75, -25.15 -109.43, 9.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 11.098 APE9-dist-out 9.8361 R69H None None XRAY 1.99 0.189 0.236 B 325.0 270.0 30 34 18 16 [[20, 290]] 1.0 9iwx 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