Ligand: KSA

Total number of chains: 7
Active chains: 3
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 71.4% 4WSQA
DFGin BLBplus 2 28.6% 1R0PA
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 MELK MELK_HUMAN 5M5AA Q14680 2 333 651.0 KSA:404 Type1 Inactive DFGin 6.568 14.367 BLAminus -128.52, 174.95 69.66, 80.58 -99.26, 20.16 288.02, 75.17 -59.14, -23.43 in-in in 9.722 Saltbr-in 2.618 HRD-in -77.9, -54.21 76.42, -2.14 in-in-out SNCiio in-out ActLoopNT-in 2.994 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, -68.55 APE8-rot-out 186.58 APE67-dihe-in -58.12, -27.37 -53.28, -41.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.9 0.187 0.214 A 347 315 17 0 0 15 [[11, 263]] 1.0 5m5a CAMK_MELK_HUMAN CAMK 1.1e-88 303.0 1 256 256 149 150 151 153 155 40 57 61 129 131 130 132 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
OTHER AAK1 AAK1_HUMAN 4WSQA Q2M2I8 29 345 961.0 KSA:405 Type1 Active DFGin 6.307 13.753 BLAminus -126.2, -179.67 69.61, 90.76 -108.14, 19.69 293.57, 82.96 -69.52, -19.34 in-in in 9.524 Saltbr-in 3.051 HRD-in -67.42, -46.62 67.64, 3.19 in-in-in SNCiii in-in ActLoopNT-in 2.869 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -110.1, -8.47 APE9-dihe-na -120.84, 162.67 APE8-dihe-in -101.84, 124.39 APE8-rot-in 300.18 APE67-dihe-in -59.62, -25.15 -50.19, -46.52 APE12-dist-in 12.377 APE11-dist-in 8.831 APE10-dist-in 4.474 APE9-dist-in 3.675 None None None XRAY 1.95 0.182 0.208 A 317 317 0 0 0 0 [[46, 313]] 1.0 4wsq OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 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 4WSQB Q2M2I8 33 342 961.0 KSA:404 Type1 Active DFGin 6.448 13.491 BLAminus -125.14, -178.62 72.01, 91.87 -111.17, 20.84 297.62, 84.5 -70.3, -20.72 in-in in 9.31 Saltbr-in 2.743 HRD-in -70.2, -48.3 68.24, 1.29 in-in-in SNCiii in-in ActLoopNT-in 2.846 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -110.84, -7.92 APE9-dihe-na -118.96, 162.19 APE8-dihe-in -104.95, 123.2 APE8-rot-in 302.88 APE67-dihe-in -62.15, -24.37 -51.37, -45.33 APE12-dist-in 12.208 APE11-dist-in 8.557 APE10-dist-in 4.25 APE9-dist-in 3.744 None None None XRAY 1.95 0.182 0.208 B 317 310 0 0 0 0 [[46, 313]] 1.0 4wsq OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 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 IKBKB IKKB_HUMAN 4KIKA O14920 9 663 756.0 KSA:60800 Type1 Inactive DFGin 6.178 12.724 BLAminus -127.36, 175.43 56.16, 79.78 -104.55, 41.64 323.18, 179.99 -47.28, 146.96 in-in in 8.463 Saltbr-in 2.985 HRD-in -64.56, -53.95 76.42, -28.17 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -61.34, -25.34 APE9-dihe-na -61.49, -48.74 APE8-dihe-out -60.84, -33.61 APE8-rot-out 70.5 APE67-dihe-in -55.1, -27.97 -77.97, -16.15 APE12-dist-out 22.378 APE11-dist-out 21.154 APE10-dist-out 23.562 APE9-dist-out 12.504 None SEP257 SEP257 XRAY 2.83 0.186 0.236 A 677 619 17 0 0 10 [[15, 449]] 1.0 4kik OTHER_IKBKB_HUMAN OTHER 1.1e-50 180.0 1 249 249 165 166 167 169 171 44 61 65 142 144 143 145 204 192 187 186 185 184 183 182 181 97 Inhibitor of nuclear factor kappa-B kinase subunit beta
OTHER IKBKB IKKB_HUMAN 4KIKB O14920 2 663 756.0 KSA:60700 Type1 Active DFGin 5.884 12.152 BLAminus -125.87, 177.92 56.45, 91.03 -106.12, 30.12 279.95, 121.49 -75.67, -15.82 in-in in 8.434 Saltbr-in 3.023 HRD-in -64.36, -54.26 72.29, -3.36 in-in-in SNCiii in-in ActLoopNT-in 3.074 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.33, 150.83 APE9-dihe-na 128.58, -160.18 APE8-dihe-in -124.05, 125.13 APE8-rot-in 284.23 APE67-dihe-in -62.44, -27.05 -45.7, -44.8 APE12-dist-in 7.899 APE11-dist-in 11.049 APE10-dist-in 5.068 APE9-dist-in 3.456 None SEP177,SEP181 SEP177,SEP181 XRAY 2.83 0.186 0.236 B 677 649 3 0 0 3 [[15, 449]] 1.0 4kik OTHER_IKBKB_HUMAN OTHER 1.1e-50 180.0 1 249 249 165 166 167 169 171 44 61 65 142 144 143 145 204 192 187 186 185 184 183 182 181 97 Inhibitor of nuclear factor kappa-B kinase subunit beta
STE MAP2K1 MP2K1_HUMAN 3EQFA Q02750 39 381 393.0 KSA:1 Type1 Inactive DFGin 6.243 13.664 BLBplus -153.33, 163.29 80.11, 34.98 -102.11, 118.04 52.83, 85.59 -46.9, 139.99 out-out out 14.559 Saltbr-out 13.077 HRD-in -93.89, -53.62 76.18, 0.04 out-out-out SNCooo out-out ActLoopNT-out 10.909 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -158.82, 130.87 APE9-dihe-na -108.44, 177.3 APE8-dihe-in -83.48, 167.0 APE8-rot-out 171.06 APE67-dihe-in -59.57, -9.61 -127.22, 12.73 APE12-dist-out 19.706 APE11-dist-out 14.97 APE10-dist-out 17.112 APE9-dist-out 9.569 S298N,S299K,Y300F None None XRAY 2.7 0.257 999.0 A 360 314 29 0 0 0 [[68, 361]] 1.0 3eqf STE_MAP2K1_HUMAN STE 1.8e-97 331.7 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
TYR MET MET_HUMAN 1R0PA P08581 1050 1360 1390.0 KSA:0 Type1 Inactive DFGin 6.476 14.34 BLBplus -128.87, -159.66 55.78, 40.33 -140.55, 160.82 73.45, 94.62 57.22, -140.62 out-out out 12.845 Saltbr-out 8.509 HRD-in -72.32, -48.0 70.71, -31.47 out-out-out SNCooo out-out ActLoopNT-out 11.433 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -136.19, 45.76 APE9-dihe-in -67.34, 140.95 APE8-dihe-in -80.24, 67.34 APE8-rot-na 34.02 APE67-dihe-in -69.09, -8.34 -56.1, -27.84 APE12-dist-na 19.241 APE11-dist-na 22.747 APE10-dist-na 20.477 APE9-dist-out 9.135 Y1194F,Y1234F,Y1235D,L1272L None None XRAY 1.8 0.171 0.197 A 312 301 10 0 0 0 [[1078, 1339]] 1.0 1r0p TYR_MET_HUMAN TYR 8.2e-90 306.8 2 260 259 1221 1222 1223 1225 1227 1110 1127 1131 1201 1203 1202 1204 1265 1253 1248 1247 1246 1245 1244 1243 1242 1158 Hepatocyte growth factor receptor

Ligand: KSA

Total number of chains: 7
Active chains: 3
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 71.4% 4WSQA
DFGin BLBplus 2 28.6% 1R0PA
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 MELK MELK_HUMAN 5M5AA Q14680 2 333 651.0 KSA:404 Type1 Inactive DFGin 6.568 14.367 BLAminus -128.52, 174.95 69.66, 80.58 -99.26, 20.16 288.02, 75.17 -59.14, -23.43 in-in in 9.722 Saltbr-in 2.618 HRD-in -77.9, -54.21 76.42, -2.14 in-in-out SNCiio in-out ActLoopNT-in 2.994 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, -68.55 APE8-rot-out 186.58 APE67-dihe-in -58.12, -27.37 -53.28, -41.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.9 0.187 0.214 A 347 315 17 0 0 15 [[11, 263]] 1.0 5m5a Homo sapiens CAMK_MELK_HUMAN CAMK 1.1e-88 303.0 1 256 256 149 150 151 153 155 40 57 61 129 131 130 132 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
OTHER AAK1 AAK1_HUMAN 4WSQA Q2M2I8 29 345 961.0 KSA:405 Type1 Active DFGin 6.307 13.753 BLAminus -126.2, -179.67 69.61, 90.76 -108.14, 19.69 293.57, 82.96 -69.52, -19.34 in-in in 9.524 Saltbr-in 3.051 HRD-in -67.42, -46.62 67.64, 3.19 in-in-in SNCiii in-in ActLoopNT-in 2.869 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -110.1, -8.47 APE9-dihe-na -120.84, 162.67 APE8-dihe-in -101.84, 124.39 APE8-rot-in 300.18 APE67-dihe-in -59.62, -25.15 -50.19, -46.52 APE12-dist-in 12.377 APE11-dist-in 8.831 APE10-dist-in 4.474 APE9-dist-in 3.675 None None None XRAY 1.95 0.182 0.208 A 317 317 0 0 0 0 [[46, 313]] 1.0 4wsq Homo sapiens OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 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 4WSQB Q2M2I8 33 342 961.0 KSA:404 Type1 Active DFGin 6.448 13.491 BLAminus -125.14, -178.62 72.01, 91.87 -111.17, 20.84 297.62, 84.5 -70.3, -20.72 in-in in 9.31 Saltbr-in 2.743 HRD-in -70.2, -48.3 68.24, 1.29 in-in-in SNCiii in-in ActLoopNT-in 2.846 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -110.84, -7.92 APE9-dihe-na -118.96, 162.19 APE8-dihe-in -104.95, 123.2 APE8-rot-in 302.88 APE67-dihe-in -62.15, -24.37 -51.37, -45.33 APE12-dist-in 12.208 APE11-dist-in 8.557 APE10-dist-in 4.25 APE9-dist-in 3.744 None None None XRAY 1.95 0.182 0.208 B 317 310 0 0 0 0 [[46, 313]] 1.0 4wsq Homo sapiens OTHER_AAK1_HUMAN OTHER 3.6e-41 147.5 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 IKBKB IKKB_HUMAN 4KIKA O14920 9 663 756.0 KSA:60800 Type1 Inactive DFGin 6.178 12.724 BLAminus -127.36, 175.43 56.16, 79.78 -104.55, 41.64 323.18, 179.99 -47.28, 146.96 in-in in 8.463 Saltbr-in 2.985 HRD-in -64.56, -53.95 76.42, -28.17 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -61.34, -25.34 APE9-dihe-na -61.49, -48.74 APE8-dihe-out -60.84, -33.61 APE8-rot-out 70.5 APE67-dihe-in -55.1, -27.97 -77.97, -16.15 APE12-dist-out 22.378 APE11-dist-out 21.154 APE10-dist-out 23.562 APE9-dist-out 12.504 None SEP257 SEP257 XRAY 2.83 0.186 0.236 A 677 619 17 0 0 10 [[15, 449]] 1.0 4kik Homo sapiens OTHER_IKBKB_HUMAN OTHER 1.1e-50 180.0 1 249 249 165 166 167 169 171 44 61 65 142 144 143 145 204 192 187 186 185 184 183 182 181 97 Inhibitor of nuclear factor kappa-B kinase subunit beta
OTHER IKBKB IKKB_HUMAN 4KIKB O14920 2 663 756.0 KSA:60700 Type1 Active DFGin 5.884 12.152 BLAminus -125.87, 177.92 56.45, 91.03 -106.12, 30.12 279.95, 121.49 -75.67, -15.82 in-in in 8.434 Saltbr-in 3.023 HRD-in -64.36, -54.26 72.29, -3.36 in-in-in SNCiii in-in ActLoopNT-in 3.074 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.33, 150.83 APE9-dihe-na 128.58, -160.18 APE8-dihe-in -124.05, 125.13 APE8-rot-in 284.23 APE67-dihe-in -62.44, -27.05 -45.7, -44.8 APE12-dist-in 7.899 APE11-dist-in 11.049 APE10-dist-in 5.068 APE9-dist-in 3.456 None SEP177,SEP181 SEP177,SEP181 XRAY 2.83 0.186 0.236 B 677 649 3 0 0 3 [[15, 449]] 1.0 4kik Homo sapiens OTHER_IKBKB_HUMAN OTHER 1.1e-50 180.0 1 249 249 165 166 167 169 171 44 61 65 142 144 143 145 204 192 187 186 185 184 183 182 181 97 Inhibitor of nuclear factor kappa-B kinase subunit beta
STE MAP2K1 MP2K1_HUMAN 3EQFA Q02750 39 381 393.0 KSA:1 Type1 Inactive DFGin 6.243 13.664 BLBplus -153.33, 163.29 80.11, 34.98 -102.11, 118.04 52.83, 85.59 -46.9, 139.99 out-out out 14.559 Saltbr-out 13.077 HRD-in -93.89, -53.62 76.18, 0.04 out-out-out SNCooo out-out ActLoopNT-out 10.909 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -158.82, 130.87 APE9-dihe-na -108.44, 177.3 APE8-dihe-in -83.48, 167.0 APE8-rot-out 171.06 APE67-dihe-in -59.57, -9.61 -127.22, 12.73 APE12-dist-out 19.706 APE11-dist-out 14.97 APE10-dist-out 17.112 APE9-dist-out 9.569 S298N,S299K,Y300F None None XRAY 2.7 0.257 999.0 A 360 314 29 0 0 0 [[68, 361]] 1.0 3eqf Homo sapiens STE_MAP2K1_HUMAN STE 1.8e-97 331.7 1 257 257 207 208 209 211 213 97 114 118 187 189 188 190 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
TYR MET MET_HUMAN 1R0PA P08581 1050 1360 1390.0 KSA:0 Type1 Inactive DFGin 6.476 14.34 BLBplus -128.87, -159.66 55.78, 40.33 -140.55, 160.82 73.45, 94.62 57.22, -140.62 out-out out 12.845 Saltbr-out 8.509 HRD-in -72.32, -48.0 70.71, -31.47 out-out-out SNCooo out-out ActLoopNT-out 11.433 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -136.19, 45.76 APE9-dihe-in -67.34, 140.95 APE8-dihe-in -80.24, 67.34 APE8-rot-na 34.02 APE67-dihe-in -69.09, -8.34 -56.1, -27.84 APE12-dist-na 19.241 APE11-dist-na 22.747 APE10-dist-na 20.477 APE9-dist-out 9.135 Y1194F,Y1234F,Y1235D,L1272L None None XRAY 1.8 0.171 0.197 A 312 301 10 0 0 0 [[1078, 1339]] 1.0 1r0p Homo sapiens TYR_MET_HUMAN TYR 8.2e-90 306.8 2 260 259 1221 1222 1223 1225 1227 1110 1127 1131 1201 1203 1202 1204 1265 1253 1248 1247 1246 1245 1244 1243 1242 1158 Hepatocyte growth factor receptor

Ligand: KSA

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
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