Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T41666 | Target Info | |||
| Target Name | Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ) | ||||
| Synonyms | LACZ of Plasmodium falciparum (isolate FCR-3 / Gambia); Hypoxanthine phosphoribosyltransferase; HPRT; HGPRTase; HGPRT of Plasmodium falciparum (isolate FCR-3 / Gambia); Guanine phosphoribosyltransferase; GPRT | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | Malaria LACZ | ||||
| Biochemical Class | Pentosyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Hypoxanthine | Ligand Info | |||||
| Structure Description | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with hypoxanthine | PDB:3OZF | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [1] |
| PDB Sequence |
PRGSHMPIPN
5 NPGAGENAFD15 PVFVNDDDGY25 DLDSFMIPAH35 YKKYLTKVLV45 PNGVIKNRIE 55 KLAYDIKKVY65 NNEEFHILCL75 LKGSRGFFTA85 LLKHLSRIHN95 YSAVETSKPL 105 FGEHYVRVKS115 YCNDQSTGTL125 EIVSEDLSCL135 KGKHVLIVED145 IIDTGKTLVK 155 FCEYLKKFEI165 KTVAIACLFI175 KRTPLWNGFK185 ADFVGFSIPD195 HFVVGYSLDY 205 NEIFRDLDHC215 CLVNDEGKKK225 YKA
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| Ligand Name: Pyrophosphate 2- | Ligand Info | |||||
| Structure Description | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with hypoxanthine | PDB:3OZF | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [1] |
| PDB Sequence |
PRGSHMPIPN
5 NPGAGENAFD15 PVFVNDDDGY25 DLDSFMIPAH35 YKKYLTKVLV45 PNGVIKNRIE 55 KLAYDIKKVY65 NNEEFHILCL75 LKGSRGFFTA85 LLKHLSRIHN95 YSAVETSKPL 105 FGEHYVRVKS115 YCNDQSTGTL125 EIVSEDLSCL135 KGKHVLIVED145 IIDTGKTLVK 155 FCEYLKKFEI165 KTVAIACLFI175 KRTPLWNGFK185 ADFVGFSIPD195 HFVVGYSLDY 205 NEIFRDLDHC215 CLVNDEGKKK225 YKA
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1s)-1(9-Deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate | Ligand Info | |||||
| Structure Description | MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE | PDB:1CJB | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
PIPNNPGAGE
11 NAFDPVFVND21 DDGYDLDSFM31 IPAHYKKYLT41 KVLVPNGVIK51 NRIEKLAYDI 61 KKVYNNEEFH71 ILCLLKGSRG81 FFTALLKHLS91 RIHNYSAVET101 SKPLFGEHYV 111 RVKSYCNDQS121 TGTLEIVSED131 LSCLKGKHVL141 IVEDIIDTGK151 TLVKFCEYLK 161 KFEIKTVAIA171 CLFIKRTPLW181 NGFKADFVGF191 SIPDHFVVGY201 SLDYNEIFRD 211 LDHCCLVNDE221 GKKKYKAT
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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 .IRP or .IRP2 or .IRP3 or :3IRP;style chemicals stick;color identity;select .A:78 or .A:115 or .A:116 or .A:121 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:153 or .A:176 or .A:196 or .A:197 or .A:198 or .A:199 or .A:203 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY78
4.297
SER115
4.626
TYR116
2.640
SER121
4.450
GLU144
2.664
ASP145
2.534
ILE146
3.286
ILE147
3.912
ASP148
2.837
THR149
2.781
GLY150
2.979
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| Ligand Name: [(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with S-SerMe-ImmH phosphonate | PDB:3OZG | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [1] |
| PDB Sequence |
PIPNNPGAGE
11 NAFDPVFVND21 DDGYDLDSFM31 IPAHYKKYLT41 KVLVPNGVIK51 NRIEKLAYDI 61 KKVYNNEEFH71 ILCLLKGSRG81 FFTALLKHLS91 RIHNYSAVET101 SKPLFGEHYV 111 RVKSYCNDQS121 TGTLEIVSED131 LSCLKGKHVL141 IVEDIIDTGK151 TLVKFCEYLK 161 KFEIKTVAIA171 CLFIKRTPLW181 NGFKADFVGF191 SIPDHFVVGY201 SLDYNEIFRD 211 LDHCCLVNDE221 GKKKYKA
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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 .SSI or .SSI2 or .SSI3 or :3SSI;style chemicals stick;color identity;select .A:115 or .A:116 or .A:121 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:176 or .A:196 or .A:197 or .A:198 or .A:199 or .A:203 or .A:204; 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 | Acyclic immucillin phosphonates: second-generation inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase. Chem Biol. 2012 Jun 22;19(6):721-30. | ||||
| REF 2 | The 2.0 A structure of malarial purine phosphoribosyltransferase in complex with a transition-state analogue inhibitor. Biochemistry. 1999 Aug 3;38(31):9872-80. | ||||
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