Ligand: A1H90

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 9F3VB
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 9F3VA O43353 9 314 540.0 A1H90:401 Type1 Inactive DFGin 6.1196 11.6318 None -123.15, 40.28 -90.71, 70.0 -87.39, 999.0 300.2, 126.34 999.0, 999.0 out-out out 12.4585 Saltbr-out 11.3915 HRD-out -117.23, 144.8 -142.51, 123.57 out-none-out SNCono none-out ActLoopNT-none 999.0 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, 148.92 APE8-rot-out 194.2 APE67-dihe-in -71.3, -18.73 -128.19, -3.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.943 0.222 0.256 A 320.0 271.0 35 33 10 23 [[18, 292]] 1.0 9f3v TKL_RIPK2_HUMAN TKL 5e-73 251.9 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 9F3VB O43353 9 315 540.0 A1H90:401 Type1 Inactive DFGin 6.1588 11.1837 None -124.64, 37.34 -86.49, 73.07 -88.12, -171.81 302.83, 123.42 -66.33, -25.78 out-out out 11.9434 Saltbr-out 13.034 HRD-out -117.06, 146.57 -143.26, 122.43 out-out-out SNCooo out-out ActLoopNT-out 9.0527 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, 147.32 APE8-rot-out 190.74 APE67-dihe-in -70.4, -21.68 -126.9, 0.13 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.943 0.222 0.256 B 320.0 278.0 29 33 15 18 [[18, 292]] 1.0 9f3v TKL_RIPK2_HUMAN TKL 5e-73 251.9 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: A1H90

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 9F3VB
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 9F3VA O43353 9 314 540.0 A1H90:401 Type1 Inactive DFGin 6.1196 11.6318 None -123.15, 40.28 -90.71, 70.0 -87.39, 999.0 300.2, 126.34 999.0, 999.0 out-out out 12.4585 Saltbr-out 11.3915 HRD-out -117.23, 144.8 -142.51, 123.57 out-none-out SNCono none-out ActLoopNT-none 999.0 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, 148.92 APE8-rot-out 194.2 APE67-dihe-in -71.3, -18.73 -128.19, -3.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.943 0.222 0.256 A 320.0 271.0 35 33 10 23 [[18, 292]] 1.0 9f3v Homo sapiens TKL_RIPK2_HUMAN TKL 5e-73 251.9 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 9F3VB O43353 9 315 540.0 A1H90:401 Type1 Inactive DFGin 6.1588 11.1837 None -124.64, 37.34 -86.49, 73.07 -88.12, -171.81 302.83, 123.42 -66.33, -25.78 out-out out 11.9434 Saltbr-out 13.034 HRD-out -117.06, 146.57 -143.26, 122.43 out-out-out SNCooo out-out ActLoopNT-out 9.0527 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, 147.32 APE8-rot-out 190.74 APE67-dihe-in -70.4, -21.68 -126.9, 0.13 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.943 0.222 0.256 B 320.0 278.0 29 33 15 18 [[18, 292]] 1.0 9f3v Homo sapiens TKL_RIPK2_HUMAN TKL 5e-73 251.9 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: A1H90

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