Ligand: K9T

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6RN8B
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 6RN8A O43353 5 310 540.0 K9T:401 Type1.5_Back Inactive DFGin 6.0981 13.8907 BLAminus -121.2, -174.58 53.58, 84.93 -101.75, 30.28 282.16, 80.1 -71.87, -31.63 in-in in 7.9813 Saltbr-in 2.8706 HRD-in -66.39, -50.33 64.83, 11.58 in-in-out SNCiio in-out ActLoopNT-in 2.8624 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -170.27 APE8-dihe-in -62.06, 149.59 APE8-rot-out 197.55 APE67-dihe-in -63.99, -18.48 -118.03, -0.43 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6245 None None None XRAY 2.69 0.178 0.212 A 311.0 281.0 25 33 18 15 [[18, 292]] 1.0 6rn8 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 6RN8B O43353 5 310 540.0 K9T:402 Type1.5_Back Inactive DFGin 6.0131 13.7399 BLAminus -122.39, -174.33 51.92, 85.84 -100.82, 20.49 283.98, 79.06 -64.39, -29.28 in-in in 8.2166 Saltbr-in 2.9524 HRD-in -60.94, -56.67 69.44, 9.97 in-in-out SNCiio in-out ActLoopNT-in 2.8249 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -139.63, -164.48 APE9-dihe-na -115.85, -133.91 APE8-dihe-in -56.11, 149.92 APE8-rot-out 199.64 APE67-dihe-in -63.61, -17.82 -118.75, -0.13 APE12-dist-none 999.0 APE11-dist-in 13.3049 APE10-dist-out 10.53 APE9-dist-out 10.9757 None None None XRAY 2.69 0.178 0.212 B 311.0 284.0 22 33 20 13 [[18, 292]] 1.0 6rn8 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: K9T

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6RN8B
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 6RN8A O43353 5 310 540.0 K9T:401 Type1.5_Back Inactive DFGin 6.0981 13.8907 BLAminus -121.2, -174.58 53.58, 84.93 -101.75, 30.28 282.16, 80.1 -71.87, -31.63 in-in in 7.9813 Saltbr-in 2.8706 HRD-in -66.39, -50.33 64.83, 11.58 in-in-out SNCiio in-out ActLoopNT-in 2.8624 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -170.27 APE8-dihe-in -62.06, 149.59 APE8-rot-out 197.55 APE67-dihe-in -63.99, -18.48 -118.03, -0.43 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6245 None None None XRAY 2.69 0.178 0.212 A 311.0 281.0 25 33 18 15 [[18, 292]] 1.0 6rn8 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 6RN8B O43353 5 310 540.0 K9T:402 Type1.5_Back Inactive DFGin 6.0131 13.7399 BLAminus -122.39, -174.33 51.92, 85.84 -100.82, 20.49 283.98, 79.06 -64.39, -29.28 in-in in 8.2166 Saltbr-in 2.9524 HRD-in -60.94, -56.67 69.44, 9.97 in-in-out SNCiio in-out ActLoopNT-in 2.8249 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -139.63, -164.48 APE9-dihe-na -115.85, -133.91 APE8-dihe-in -56.11, 149.92 APE8-rot-out 199.64 APE67-dihe-in -63.61, -17.82 -118.75, -0.13 APE12-dist-none 999.0 APE11-dist-in 13.3049 APE10-dist-out 10.53 APE9-dist-out 10.9757 None None None XRAY 2.69 0.178 0.212 B 311.0 284.0 22 33 20 13 [[18, 292]] 1.0 6rn8 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: K9T

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