Ligand: M5W

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 6SZJB
DFGin BLBplus 1 50.0% 6SZJA
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 RIPK2 RIPK2_HUMAN 6SZJB O43353 5 310 540.0 M5W:402 Type1 Inactive DFGin 6.0601 14.8025 BLAminus -127.62, -178.38 64.51, 85.71 -108.62, 30.49 299.07, 85.51 -62.99, -29.31 in-in in 8.0355 Saltbr-in 2.624 HRD-in -73.84, -57.47 64.38, 3.81 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -111.13, -160.71 APE9-dihe-na -124.86, -125.22 APE8-dihe-in -69.02, 143.41 APE8-rot-out 187.62 APE67-dihe-in -53.68, -19.89 -104.22, -17.47 APE12-dist-none 999.0 APE11-dist-in 13.7473 APE10-dist-out 10.3847 APE9-dist-out 10.9785 None None None XRAY 2.53 0.191 0.241 B 311.0 283.0 23 33 16 17 [[18, 292]] 1.0 6szj TKL_RIPK2_HUMAN TKL 4.5e-73 252.0 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 6SZJA O43353 5 310 540.0 M5W:401 Type1 Inactive DFGin 4.728 14.5425 BLBplus -128.88, 175.29 56.57, 61.59 -132.22, 139.55 60.02, 89.16 45.92, 68.66 in-in in 7.8419 Saltbr-in 3.596 HRD-in -66.36, -57.71 64.68, 3.91 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -118.11 APE8-dihe-in -97.65, 128.8 APE8-rot-out 180.19 APE67-dihe-in -65.16, -18.87 -95.83, 0.93 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.12 None None None XRAY 2.53 0.191 0.241 A 311.0 279.0 27 33 13 20 [[18, 292]] 1.0 6szj TKL_RIPK2_HUMAN TKL 4.5e-73 252.0 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2

Ligand: M5W

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 6SZJB
DFGin BLBplus 1 50.0% 6SZJA
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 RIPK2 RIPK2_HUMAN 6SZJB O43353 5 310 540.0 M5W:402 Type1 Inactive DFGin 6.0601 14.8025 BLAminus -127.62, -178.38 64.51, 85.71 -108.62, 30.49 299.07, 85.51 -62.99, -29.31 in-in in 8.0355 Saltbr-in 2.624 HRD-in -73.84, -57.47 64.38, 3.81 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -111.13, -160.71 APE9-dihe-na -124.86, -125.22 APE8-dihe-in -69.02, 143.41 APE8-rot-out 187.62 APE67-dihe-in -53.68, -19.89 -104.22, -17.47 APE12-dist-none 999.0 APE11-dist-in 13.7473 APE10-dist-out 10.3847 APE9-dist-out 10.9785 None None None XRAY 2.53 0.191 0.241 B 311.0 283.0 23 33 16 17 [[18, 292]] 1.0 6szj Homo sapiens TKL_RIPK2_HUMAN TKL 4.5e-73 252.0 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 6SZJA O43353 5 310 540.0 M5W:401 Type1 Inactive DFGin 4.728 14.5425 BLBplus -128.88, 175.29 56.57, 61.59 -132.22, 139.55 60.02, 89.16 45.92, 68.66 in-in in 7.8419 Saltbr-in 3.596 HRD-in -66.36, -57.71 64.68, 3.91 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -118.11 APE8-dihe-in -97.65, 128.8 APE8-rot-out 180.19 APE67-dihe-in -65.16, -18.87 -95.83, 0.93 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.12 None None None XRAY 2.53 0.191 0.241 A 311.0 279.0 27 33 13 20 [[18, 292]] 1.0 6szj Homo sapiens TKL_RIPK2_HUMAN TKL 4.5e-73 252.0 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2

Ligand: M5W

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