Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T01865 | Target Info | |||
| Target Name | Plasmodium Hexose transporter 1 (Malaria ht1) | ||||
| Synonyms | ht1; Putative sugar transporter; Hexose transporter | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Malaria ht1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: B-Nonylglucoside | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose | PDB:6M20 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
FSTSFKYVLS
32 ACIASFIFGY42 QVSVLNTIKN52 FIVVEFEWCK62 GEKDRLNCSN72 NTIQSSFLLA 82 SVFIGAVLGC92 GFSGYLVQFG102 RRLSLLIIYN112 FFFLVSILTS122 ITHHFHTILF 132 ARLLSGFGIG142 LVTVSVPMYI152 SEMTHKDKKG162 AYGVMHQLFI172 TFGIFVAVML 182 GLAMGEGPKA192 DSTEPLTSFA202 KLWWRLMFLF212 PSVISLIGIL222 ALVVFFKEET 232 PYFLFEKGRI242 EESKNILKKI252 YETDNVDEPL262 NAIKEAVEQN272 ESAKKNSLSL 282 LSALKIPSYR292 YVIILGCLLS302 GLQQFTGINV312 LVSNSNELYK322 EFLDSHLITI 332 LSVVMTAVNF342 LMTFPAIYIV352 EKLGRKTLLL362 WGCVGVLVAY372 LPTAIANEIN 382 RNSNFVKILS392 IVATFVMIIS402 FAVSYGPVLW412 IYLHEMFPSE422 IKDSAASLAS 432 LVNWVCAIIV442 VFPSDIIIKK452 SPSILFIVFS462 VMSILTFFFI472 FFFIKETKGG 482 EIGTSPYITM492 EERQKH
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SER45
4.831
ASN48
4.138
THR49
3.252
GLU57
4.421
ILE123
4.036
HIS125
3.090
HIS128
3.198
LEU131
3.671
PHE132
3.704
ILE176
4.127
ALA179
4.648
VAL180
2.403
MET181
4.545
GLY183
3.598
LEU184
3.684
GLU188
4.274
ARG207
3.274
GLY309
3.621
ILE310
4.647
VAL312
3.694
LEU313
4.039
VAL314
3.329
SER317
3.262
ASN318
3.599
LEU320
3.177
TYR321
3.588
GLU323
3.135
PHE324
3.519
SER327
4.628
THR331
3.267
SER334
3.682
VAL335
4.965
MET337
4.071
THR338
3.703
ASN341
3.441
TYR372
3.549
THR375
4.225
ASN379
2.924
ARG383
3.043
VAL388
4.109
LYS389
3.231
SER392
2.495
THR396
3.192
MET399
3.980
ILE400
4.291
ILE450
3.836
PRO454
3.480
LEU457
4.883
PHE458
3.696
PHE461
3.545
|
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| Ligand Name: Beta-D-Glucose | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose | PDB:6M20 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
FSTSFKYVLS
32 ACIASFIFGY42 QVSVLNTIKN52 FIVVEFEWCK62 GEKDRLNCSN72 NTIQSSFLLA 82 SVFIGAVLGC92 GFSGYLVQFG102 RRLSLLIIYN112 FFFLVSILTS122 ITHHFHTILF 132 ARLLSGFGIG142 LVTVSVPMYI152 SEMTHKDKKG162 AYGVMHQLFI172 TFGIFVAVML 182 GLAMGEGPKA192 DSTEPLTSFA202 KLWWRLMFLF212 PSVISLIGIL222 ALVVFFKEET 232 PYFLFEKGRI242 EESKNILKKI252 YETDNVDEPL262 NAIKEAVEQN272 ESAKKNSLSL 282 LSALKIPSYR292 YVIILGCLLS302 GLQQFTGINV312 LVSNSNELYK322 EFLDSHLITI 332 LSVVMTAVNF342 LMTFPAIYIV352 EKLGRKTLLL362 WGCVGVLVAY372 LPTAIANEIN 382 RNSNFVKILS392 IVATFVMIIS402 FAVSYGPVLW412 IYLHEMFPSE422 IKDSAASLAS 432 LVNWVCAIIV442 VFPSDIIIKK452 SPSILFIVFS462 VMSILTFFFI472 FFFIKETKGG 482 EIGTSPYITM492 EERQKH
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol | Ligand Info | |||||
| Structure Description | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 | PDB:6M2L | ||||
| Method | X-ray diffraction | Resolution | 3.70 Å | Mutation | No | [1] |
| PDB Sequence |
STSFKYVLSA
33 CIASFIFGYQ43 VSVLNTIKNF53 IVVEFEWCCS71 NNTIQSSFLL81 ASVFIGAVLG 91 CGFSGYLVQF101 GRRLSLLIIY111 NFFFLVSILT121 SITHHFHTIL131 FARLLSGFGI 141 GLVTVSVPMY151 ISEMTHKDKK161 GAYGVMHQLF171 ITFGIFVAVM181 LGLSFAKLWW 206 RLMFLFPSVI216 SLIGILALVV226 FFKEETPYFL236 FEKGRIEESK246 NILKKIYETD 256 NVDEPLNAIK266 EAVEQNESAK276 KNSLSLLSAL286 KIPSYRYVII296 LGCLLSGLQQ 306 FTGINVLVSN316 SNELYKEFLD326 SHLITILSVV336 MTAVNFLMTF346 PAIYIVEKLG 356 RKTLLLWGCV366 GVLVAYLPTA376 IANEINRNSN386 FVKILSIVAT396 FVMIISFAVS 406 YGPVLWIYLH416 EMFPSEIKDS426 AASLASLVNW436 VCAIIVVFPS446 DIIIKKSPSI 456 LFIVFSVMSI466 LTFFFIFFFI476 KETKGGEIGT486 SPYITME
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F00 or .F002 or .F003 or :3F00;style chemicals stick;color identity;select .A:40 or .A:44 or .A:47 or .A:48 or .A:51 or .A:85 or .A:169 or .A:172 or .A:173 or .A:176 or .A:305 or .A:306 or .A:310 or .A:311 or .A:315 or .A:341 or .A:403 or .A:412 or .A:435 or .A:436 or .A:439 or .A:443; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE40
4.713
VAL44
4.317
LEU47
4.055
ASN48
2.510
LYS51
4.249
PHE85
3.207
GLN169
3.070
ILE172
4.088
THR173
4.117
ILE176
4.574
GLN305
3.882
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| Ligand Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||||
| Structure Description | The molecular basis for sugar import in malaria parasites. | PDB:6RW3 | ||||
| Method | X-ray diffraction | Resolution | 3.65 Å | Mutation | No | [2] |
| PDB Sequence |
FFSTSFKYVL
31 SACIASFIFG41 YQVSVLNTIK51 NFIVVEFECS71 NNTIQSSFLL81 ASVFIGAVLG 91 CGFSGYLVQF101 GRRLSLLIIY111 NFFFLVSILT121 SITHHFHTIL131 FARLLSGFGI 141 GLVTVSVPMY151 ISEMTHKDKK161 GAYGVMHQLF171 ITFGIFVAVM181 LGLAMGETSF 201 AKLWWRLMFL211 FPSVISLIGI221 LALVVFFKEE231 TPYFLFEKGR241 IEESKNILKK 251 IYETDNVDEP261 LNAIKEAVEQ271 NESAKKNSLS281 LLSALKIPSY291 RYVIILGCLL 301 SGLQQFTGIN311 VLVSNSNELY321 KEFLDSHLIT331 ILSVVMTAVN341 FLMTFPAIYI 351 VEKLGRKTLL361 LWGCVGVLVA371 YLPTAIANEN386 FVKILSIVAT396 FVMIISFAVS 406 YGPVLWIYLH416 EMFPSEIKDS426 AASLASLVNW436 VCAIIVVFPS446 DIIIKKSPSI 456 LFIVFSVMSI466 LTFFFIFFFI476 KETKGGE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:40 or .A:44 or .A:169 or .A:172 or .A:173 or .A:176 or .A:305 or .A:306 or .A:310 or .A:311 or .A:314 or .A:341 or .A:403 or .A:408 or .A:412 or .A:435 or .A:436; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell. 2020 Oct 1;183(1):258-268.e12. | ||||
| REF 2 | The molecular basis for sugar import in malaria parasites. Nature. 2020 Feb;578(7794):321-325. | ||||
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