Ligand: YFV

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8GMCA

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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
OTHER AAK1 AAK1_HUMAN 8GMCA Q2M2I8 34 330 961.0 YFV:401 Type1 Active DFGin 6.296 13.344 BLAminus -132.35, 179.07 63.58, 102.47 -106.53, 19.35 292.32, 96.59 -60.5, -34.69 in-in in 8.502 Saltbr-in 2.74 HRD-in -65.3, -44.13 71.44, -0.05 in-in-in SNCiii in-in ActLoopNT-in 2.984 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -101.27, -5.42 APE9-dihe-na -117.59, 149.82 APE8-dihe-in -99.03, 116.29 APE8-rot-in 299.63 APE67-dihe-in -50.9, -25.95 -44.55, -54.08 APE12-dist-in 12.229 APE11-dist-in 8.532 APE10-dist-in 4.19 APE9-dist-in 3.881 None None None XRAY 2.5 0.228 0.256 A 318 293 4 0 0 0 [[46, 313]] 1.0 8gmc OTHER_AAK1_HUMAN OTHER 3.6e-41 147.6 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_HUMAN 8GMCB Q2M2I8 31 330 961.0 YFV:401 Type1 Active DFGin 6.613 13.444 BLAminus -132.15, -179.67 62.85, 102.24 -105.78, 18.46 292.58, 96.33 -60.62, -34.17 in-in in 8.465 Saltbr-in 2.937 HRD-in -65.77, -42.15 71.41, -5.73 in-in-in SNCiii in-in ActLoopNT-in 2.983 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -106.13, -3.18 APE9-dihe-na -121.52, 151.08 APE8-dihe-in -97.1, 121.04 APE8-rot-in 308.13 APE67-dihe-in -59.64, -26.78 -53.61, -40.63 APE12-dist-in 12.181 APE11-dist-in 8.453 APE10-dist-in 4.154 APE9-dist-in 3.979 None None None XRAY 2.5 0.228 0.256 B 318 294 5 0 0 0 [[46, 313]] 1.0 8gmc OTHER_AAK1_HUMAN OTHER 3.6e-41 147.6 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1

Ligand: YFV

Total number of chains: 6
Active chains: 6
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 100.0% 7RJ6A

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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
OTHER AAK1 AAK1_HUMAN 8GMCA Q2M2I8 34 330 961.0 YFV:401 Type1 Active DFGin 6.296 13.344 BLAminus -132.35, 179.07 63.58, 102.47 -106.53, 19.35 292.32, 96.59 -60.5, -34.69 in-in in 8.502 Saltbr-in 2.74 HRD-in -65.3, -44.13 71.44, -0.05 in-in-in SNCiii in-in ActLoopNT-in 2.984 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -101.27, -5.42 APE9-dihe-na -117.59, 149.82 APE8-dihe-in -99.03, 116.29 APE8-rot-in 299.63 APE67-dihe-in -50.9, -25.95 -44.55, -54.08 APE12-dist-in 12.229 APE11-dist-in 8.532 APE10-dist-in 4.19 APE9-dist-in 3.881 None None None XRAY 2.5 0.228 0.256 A 318 293 4 0 0 0 [[46, 313]] 1.0 8gmc Homo sapiens OTHER_AAK1_HUMAN OTHER 3.6e-41 147.6 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_HUMAN 8GMCB Q2M2I8 31 330 961.0 YFV:401 Type1 Active DFGin 6.613 13.444 BLAminus -132.15, -179.67 62.85, 102.24 -105.78, 18.46 292.58, 96.33 -60.62, -34.17 in-in in 8.465 Saltbr-in 2.937 HRD-in -65.77, -42.15 71.41, -5.73 in-in-in SNCiii in-in ActLoopNT-in 2.983 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -106.13, -3.18 APE9-dihe-na -121.52, 151.08 APE8-dihe-in -97.1, 121.04 APE8-rot-in 308.13 APE67-dihe-in -59.64, -26.78 -53.61, -40.63 APE12-dist-in 12.181 APE11-dist-in 8.453 APE10-dist-in 4.154 APE9-dist-in 3.979 None None None XRAY 2.5 0.228 0.256 B 318 294 5 0 0 0 [[46, 313]] 1.0 8gmc Homo sapiens OTHER_AAK1_HUMAN OTHER 3.6e-41 147.6 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7LVHB Q3UHJ0 35 329 959.0 YFV:401 Type1 Active DFGin 6.305 13.462 BLAminus -109.39, -171.27 52.7, 102.9 -109.75, 14.5 296.74, 93.05 -60.15, -20.34 in-in in 8.572 Saltbr-in 2.925 HRD-in -64.33, -41.66 66.46, -2.89 in-in-in SNCiii in-in ActLoopNT-in 2.927 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -108.01, -10.47 APE9-dihe-na -112.81, 152.03 APE8-dihe-in -104.75, 117.86 APE8-rot-in 298.94 APE67-dihe-in -52.25, -35.41 -40.96, -54.57 APE12-dist-in 12.424 APE11-dist-in 8.675 APE10-dist-in 4.265 APE9-dist-in 3.885 None None None XRAY 2.65 0.267 0.299 B 318 281 14 0 0 2 [[46, 313]] 1.0 7lvh Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7LVIB Q3UHJ0 35 330 959.0 YFV:401 Type1 Active DFGin 6.555 13.956 BLAminus -120.74, -177.87 58.36, 103.46 -109.53, 15.49 286.96, 91.82 -62.65, -18.35 in-in in 8.646 Saltbr-in 2.938 HRD-in -65.69, -47.95 71.36, -2.95 in-in-in SNCiii in-in ActLoopNT-in 2.798 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -106.16, -5.91 APE9-dihe-na -123.61, 155.71 APE8-dihe-in -99.3, 117.77 APE8-rot-in 306.22 APE67-dihe-in -52.8, -28.0 -40.05, -53.5 APE12-dist-in 12.136 APE11-dist-in 8.59 APE10-dist-in 4.233 APE9-dist-in 3.781 None None None XRAY 2.2 0.219 0.241 B 318 288 8 0 0 0 [[46, 313]] 1.0 7lvi Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7RJ6A Q3UHJ0 26 330 959.0 YFV:401 Type1 Active DFGin 6.512 13.377 BLAminus -125.62, 169.71 67.71, 96.16 -104.68, 24.3 300.02, 93.63 -68.93, -22.4 in-in in 8.597 Saltbr-in 2.71 HRD-in -65.12, -47.31 74.51, -5.09 in-in-in SNCiii in-in ActLoopNT-in 2.893 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.26, -12.99 APE9-dihe-na -116.7, 155.82 APE8-dihe-in -97.42, 121.54 APE8-rot-in 304.46 APE67-dihe-in -58.17, -28.42 -45.34, -49.66 APE12-dist-in 12.136 APE11-dist-in 8.618 APE10-dist-in 4.273 APE9-dist-in 3.663 None None None XRAY 2.132 0.202 0.215 A 318 305 0 0 0 0 [[46, 313]] 1.0 7rj6 Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7RJ8B Q3UHJ0 26 330 959.0 YFV:401,PG6:402 Type1,Allosteric Active DFGin 6.171 13.595 BLAminus -125.6, -179.39 58.59, 102.41 -105.91, 18.84 291.4, 96.74 -62.2, -32.16 in-in in 8.589 Saltbr-in 2.816 HRD-in -63.34, -43.99 65.76, 0.54 in-in-in SNCiii in-in ActLoopNT-in 2.866 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.14, -12.1 APE9-dihe-na -116.75, 157.99 APE8-dihe-in -101.55, 119.49 APE8-rot-in 301.75 APE67-dihe-in -54.59, -29.22 -43.63, -50.74 APE12-dist-in 12.125 APE11-dist-in 8.532 APE10-dist-in 4.108 APE9-dist-in 3.806 None None None XRAY 2.59 0.187 0.222 B 318 305 0 0 0 0 [[46, 313]] 1.0 7rj8 Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1

Ligand: YFV

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7RJ6A

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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
OTHER AAK1 AAK1_MOUSE 7LVHB Q3UHJ0 35 329 959.0 YFV:401 Type1 Active DFGin 6.305 13.462 BLAminus -109.39, -171.27 52.7, 102.9 -109.75, 14.5 296.74, 93.05 -60.15, -20.34 in-in in 8.572 Saltbr-in 2.925 HRD-in -64.33, -41.66 66.46, -2.89 in-in-in SNCiii in-in ActLoopNT-in 2.927 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -108.01, -10.47 APE9-dihe-na -112.81, 152.03 APE8-dihe-in -104.75, 117.86 APE8-rot-in 298.94 APE67-dihe-in -52.25, -35.41 -40.96, -54.57 APE12-dist-in 12.424 APE11-dist-in 8.675 APE10-dist-in 4.265 APE9-dist-in 3.885 None None None XRAY 2.65 0.267 0.299 B 318 281 14 0 0 2 [[46, 313]] 1.0 7lvh Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7LVIB Q3UHJ0 35 330 959.0 YFV:401 Type1 Active DFGin 6.555 13.956 BLAminus -120.74, -177.87 58.36, 103.46 -109.53, 15.49 286.96, 91.82 -62.65, -18.35 in-in in 8.646 Saltbr-in 2.938 HRD-in -65.69, -47.95 71.36, -2.95 in-in-in SNCiii in-in ActLoopNT-in 2.798 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -106.16, -5.91 APE9-dihe-na -123.61, 155.71 APE8-dihe-in -99.3, 117.77 APE8-rot-in 306.22 APE67-dihe-in -52.8, -28.0 -40.05, -53.5 APE12-dist-in 12.136 APE11-dist-in 8.59 APE10-dist-in 4.233 APE9-dist-in 3.781 None None None XRAY 2.2 0.219 0.241 B 318 288 8 0 0 0 [[46, 313]] 1.0 7lvi Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7RJ6A Q3UHJ0 26 330 959.0 YFV:401 Type1 Active DFGin 6.512 13.377 BLAminus -125.62, 169.71 67.71, 96.16 -104.68, 24.3 300.02, 93.63 -68.93, -22.4 in-in in 8.597 Saltbr-in 2.71 HRD-in -65.12, -47.31 74.51, -5.09 in-in-in SNCiii in-in ActLoopNT-in 2.893 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.26, -12.99 APE9-dihe-na -116.7, 155.82 APE8-dihe-in -97.42, 121.54 APE8-rot-in 304.46 APE67-dihe-in -58.17, -28.42 -45.34, -49.66 APE12-dist-in 12.136 APE11-dist-in 8.618 APE10-dist-in 4.273 APE9-dist-in 3.663 None None None XRAY 2.132 0.202 0.215 A 318 305 0 0 0 0 [[46, 313]] 1.0 7rj6 Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_MOUSE 7RJ8B Q3UHJ0 26 330 959.0 YFV:401,PG6:402 Type1,Allosteric Active DFGin 6.171 13.595 BLAminus -125.6, -179.39 58.59, 102.41 -105.91, 18.84 291.4, 96.74 -62.2, -32.16 in-in in 8.589 Saltbr-in 2.816 HRD-in -63.34, -43.99 65.76, 0.54 in-in-in SNCiii in-in ActLoopNT-in 2.866 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.14, -12.1 APE9-dihe-na -116.75, 157.99 APE8-dihe-in -101.55, 119.49 APE8-rot-in 301.75 APE67-dihe-in -54.59, -29.22 -43.63, -50.74 APE12-dist-in 12.125 APE11-dist-in 8.532 APE10-dist-in 4.108 APE9-dist-in 3.806 None None None XRAY 2.59 0.187 0.222 B 318 305 0 0 0 0 [[46, 313]] 1.0 7rj8 Mus musculus OTHER_AAK1_MOUSE OTHER 6.7e-41 146.7 3 254 252 193 194 195 197 199 74 90 94 173 175 174 176 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1