Ligand: F7I

Total number of chains: 4
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 9QB5B
DFGin ABAminus 1 25.0% 7QUEB
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
CAMK STK17A ST17A_HUMAN 7QUEB Q9UEE5 59 322 414.0 F7I:60401 Type1 Inactive DFGin 6.097 14.4378 ABAminus -112.52, -32.9 -122.41, 133.23 -125.43, 20.39 297.06, 88.08 -55.17, -31.91 in-out in 9.1395 Saltbr-out 3.9125 HRD-out 55.74, 49.22 -83.59, 137.61 out-in-out SNCoio in-out ActLoopNT-in 3.1005 ActLoopCT-out nonTYR APEdihe_aaini APEdist_oooo APE10-dihe-na -84.31, 1.38 APE9-dihe-na -74.9, -3.54 APE8-dihe-in -123.33, 68.17 APE8-rot-none 999.0 APE67-dihe-in -55.47, -30.5 -62.56, -34.53 APE12-dist-out 25.2188 APE11-dist-out 23.7814 APE10-dist-out 26.7555 APE9-dist-out 32.2061 None None None XRAY 2.4 0.235 0.266 B 275.0 239.0 25 27 21 6 [[59, 321]] 1.0 7que CAMK_STK17A_HUMAN CAMK 1.3e-86 296.0 4.0 256.0 253.0 206 207 208 210 212 90 108 112 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 Serine/threonine-protein kinase 17A
CAMK STK17A ST17A_HUMAN 7QUEA Q9UEE5 50 322 414.0 F7I:60401 Type1 Inactive DFGin 5.9404 14.5078 BLAminus -123.87, 169.48 73.3, 84.52 -97.37, 24.76 291.76, 92.48 -60.06, -34.52 in-in in 8.7386 Saltbr-in 2.5535 HRD-in -67.47, -57.59 81.18, 10.24 in-in-out SNCiio in-out ActLoopNT-in 2.8525 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -63.29, -50.03 APE9-dihe-na 84.76, 176.19 APE8-dihe-in -65.0, 132.13 APE8-rot-out 35.79 APE67-dihe-in -64.45, -4.9 -63.94, -42.06 APE12-dist-out 24.6759 APE11-dist-out 20.7059 APE10-dist-out 24.4643 APE9-dist-out 27.588 None None None XRAY 2.4 0.235 0.266 A 275.0 264.0 9 27 27 0 [[59, 321]] 1.0 7que CAMK_STK17A_HUMAN CAMK 1.3e-86 296.0 4.0 256.0 253.0 206 207 208 210 212 90 108 112 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 Serine/threonine-protein kinase 17A
OTHER AAK1 AAK1_HUMAN 9QB5A Q2M2I8 29 343 961.0 F7I:60401 Type1 Active DFGin 6.406 13.358 BLAminus -132.26, 177.36 64.71, 93.28 -102.58, 23.65 295.99, 87.8 -68.89, -14.08 in-in in 8.4517 Saltbr-in 2.5766 HRD-in -65.82, -48.18 75.53, -3.07 in-in-in SNCiii in-in ActLoopNT-in 2.8781 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -111.0, -10.1 APE9-dihe-na -117.28, 159.33 APE8-dihe-in -101.85, 125.23 APE8-rot-in 303.31 APE67-dihe-in -61.58, -23.49 -52.0, -46.22 APE12-dist-in 12.1582 APE11-dist-in 8.502 APE10-dist-in 4.1257 APE9-dist-in 3.6319 None None None XRAY 2.0 0.199 0.227 A 318.0 313.0 2 36 36 0 [[46, 313]] 1.0 9qb5 OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 3.0 254.0 252.0 193 194 195 197 199 74 90 94 173 175 174 176.0 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_HUMAN 9QB5B Q2M2I8 34 342 961.0 F7I:60401 Type1 Active DFGin 6.4569 13.0394 BLAminus -136.45, 178.27 73.68, 94.2 -109.77, 25.54 300.89, 108.71 -73.91, -11.3 in-in in 8.0922 Saltbr-in 2.4615 HRD-in -66.48, -48.55 75.65, -3.42 in-in-in SNCiii in-in ActLoopNT-in 2.9081 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.0, -6.97 APE9-dihe-na -121.88, 160.23 APE8-dihe-in -103.81, 124.81 APE8-rot-in 304.19 APE67-dihe-in -60.83, -28.74 -52.63, -42.77 APE12-dist-in 12.174 APE11-dist-in 8.5775 APE10-dist-in 4.3028 APE9-dist-in 3.6645 None None None XRAY 2.0 0.199 0.227 B 318.0 309.0 0 36 36 0 [[46, 313]] 1.0 9qb5 OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 3.0 254.0 252.0 193 194 195 197 199 74 90 94 173 175 174 176.0 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1

Ligand: F7I

Total number of chains: 4
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 9QB5B
DFGin ABAminus 1 25.0% 7QUEB
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
CAMK STK17A ST17A_HUMAN 7QUEB Q9UEE5 59 322 414.0 F7I:60401 Type1 Inactive DFGin 6.097 14.4378 ABAminus -112.52, -32.9 -122.41, 133.23 -125.43, 20.39 297.06, 88.08 -55.17, -31.91 in-out in 9.1395 Saltbr-out 3.9125 HRD-out 55.74, 49.22 -83.59, 137.61 out-in-out SNCoio in-out ActLoopNT-in 3.1005 ActLoopCT-out nonTYR APEdihe_aaini APEdist_oooo APE10-dihe-na -84.31, 1.38 APE9-dihe-na -74.9, -3.54 APE8-dihe-in -123.33, 68.17 APE8-rot-none 999.0 APE67-dihe-in -55.47, -30.5 -62.56, -34.53 APE12-dist-out 25.2188 APE11-dist-out 23.7814 APE10-dist-out 26.7555 APE9-dist-out 32.2061 None None None XRAY 2.4 0.235 0.266 B 275.0 239.0 25 27 21 6 [[59, 321]] 1.0 7que Homo sapiens CAMK_STK17A_HUMAN CAMK 1.3e-86 296.0 4.0 256.0 253.0 206 207 208 210 212 90 108 112 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 Serine/threonine-protein kinase 17A
CAMK STK17A ST17A_HUMAN 7QUEA Q9UEE5 50 322 414.0 F7I:60401 Type1 Inactive DFGin 5.9404 14.5078 BLAminus -123.87, 169.48 73.3, 84.52 -97.37, 24.76 291.76, 92.48 -60.06, -34.52 in-in in 8.7386 Saltbr-in 2.5535 HRD-in -67.47, -57.59 81.18, 10.24 in-in-out SNCiio in-out ActLoopNT-in 2.8525 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -63.29, -50.03 APE9-dihe-na 84.76, 176.19 APE8-dihe-in -65.0, 132.13 APE8-rot-out 35.79 APE67-dihe-in -64.45, -4.9 -63.94, -42.06 APE12-dist-out 24.6759 APE11-dist-out 20.7059 APE10-dist-out 24.4643 APE9-dist-out 27.588 None None None XRAY 2.4 0.235 0.266 A 275.0 264.0 9 27 27 0 [[59, 321]] 1.0 7que Homo sapiens CAMK_STK17A_HUMAN CAMK 1.3e-86 296.0 4.0 256.0 253.0 206 207 208 210 212 90 108 112 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 Serine/threonine-protein kinase 17A
OTHER AAK1 AAK1_HUMAN 9QB5A Q2M2I8 29 343 961.0 F7I:60401 Type1 Active DFGin 6.406 13.358 BLAminus -132.26, 177.36 64.71, 93.28 -102.58, 23.65 295.99, 87.8 -68.89, -14.08 in-in in 8.4517 Saltbr-in 2.5766 HRD-in -65.82, -48.18 75.53, -3.07 in-in-in SNCiii in-in ActLoopNT-in 2.8781 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -111.0, -10.1 APE9-dihe-na -117.28, 159.33 APE8-dihe-in -101.85, 125.23 APE8-rot-in 303.31 APE67-dihe-in -61.58, -23.49 -52.0, -46.22 APE12-dist-in 12.1582 APE11-dist-in 8.502 APE10-dist-in 4.1257 APE9-dist-in 3.6319 None None None XRAY 2.0 0.199 0.227 A 318.0 313.0 2 36 36 0 [[46, 313]] 1.0 9qb5 Homo sapiens OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 3.0 254.0 252.0 193 194 195 197 199 74 90 94 173 175 174 176.0 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
OTHER AAK1 AAK1_HUMAN 9QB5B Q2M2I8 34 342 961.0 F7I:60401 Type1 Active DFGin 6.4569 13.0394 BLAminus -136.45, 178.27 73.68, 94.2 -109.77, 25.54 300.89, 108.71 -73.91, -11.3 in-in in 8.0922 Saltbr-in 2.4615 HRD-in -66.48, -48.55 75.65, -3.42 in-in-in SNCiii in-in ActLoopNT-in 2.9081 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.0, -6.97 APE9-dihe-na -121.88, 160.23 APE8-dihe-in -103.81, 124.81 APE8-rot-in 304.19 APE67-dihe-in -60.83, -28.74 -52.63, -42.77 APE12-dist-in 12.174 APE11-dist-in 8.5775 APE10-dist-in 4.3028 APE9-dist-in 3.6645 None None None XRAY 2.0 0.199 0.227 B 318.0 309.0 0 36 36 0 [[46, 313]] 1.0 9qb5 Homo sapiens OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 3.0 254.0 252.0 193 194 195 197 199 74 90 94 173 175 174 176.0 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1

Ligand: F7I

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