Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98430 | Target Info | |||
| Target Name | Alpha-L-iduronidase (IDUA) | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | IDUA | ||||
| Biochemical Class | Glycosyl hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | alpha-L-idopyranuronic acid | Ligand Info | |||
| Canonical SMILES | C1(C(C(OC(C1O)O)C(=O)O)O)O | ||||
| InChI | 1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1 | ||||
| InChIKey | AEMOLEFTQBMNLQ-VCSGLWQLSA-N | ||||
| PubChem Compound ID | 446102 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4OBR Crystal structure of human alpha-L-iduronidase complex with alpha-L-iduronic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [1] |
| PDB Sequence |
APHLVQVDAA
37 RALWPLRRFW47 RSTGFCPPYV65 LSWDQQLNLA75 YVGAVPHRGI85 KQVRTHWLLE 95 LVTTLSYNFT112 HLDGYLDLLR122 ENQLLPGFEL132 MGSASGHFTD142 FEDKQQVFEW 152 KDLVSSLARR162 YIGRYGLAHV172 SKWNFETWNE182 PDHHDFDNVS192 MTMQGFLNYY 202 DACSEGLRAA212 SPALRLGGPG222 DSFHTPPRSP232 LSWGLLRHCH242 DGTNFFTGEA 252 GVRLDYISLH262 RKGARSSISI272 LEQEKVVAQQ282 IRQLFPKFAD292 TPIYNDEADP 302 LVGWSLPQPW312 RADVTYAAMV322 VKVIAQHQNL332 LLANTTSAFP342 YALLSNDNAF 352 LSYHPHPFAQ362 RTLTARFQVN372 NTRPPHVQLL382 RKPVLTAMGL392 LALLDEEQLW 402 AEVSQAGTVL412 DSNHTVGVLA422 SAHRPQGPAD432 AWRAAVLIYA442 SDDTRAHPNR 452 SVAVTLRLRG462 VPPGPGLVYV472 TRYLDNGLCS482 PDGEWRRLGR492 PVFPTAEQFR 502 RMRAAEDPVA512 AAPRPLPAGG522 RLTLRPALRL532 PSLLLVHVCA542 RPEKPPGQVT 552 RLRALPLTQG562 QLVLVWSDEH572 VGSKCLWTYE582 IQFSQDYTPV595 SRKPSTFNLF 605 VFSPDTGAVS615 GSYRVRALDY625 WARPGPFSDP635 VPYLE
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| PDB ID: 3W82 Human alpha-L-iduronidase in complex with iduronic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.76 Å | Mutation | No | [2] |
| PDB Sequence |
EAPHLVHVDA
36 ARALWPLRRF46 WRSTGFCPPL56 PHSQADQYVL66 SWDQQLNLAY76 VGAVPHRGIK 86 QVRTHWLLEL96 VTTRGSTGRG106 LSYNFTHLDG116 YLDLLRENQL126 LPGFELMGSA 136 SGHFTDFEDK146 QQVFEWKDLV156 SSLARRYIGR166 YGLAHVSKWN176 FETWNEPDHH 186 DFDNVSMTMQ196 GFLNYYDACS206 EGLRAASPAL216 RLGGPGDSFH226 TPPRSPLSWG 236 LLRHCHDGTN246 FFTGEAGVRL256 DYISLHRKGA266 RSSISILEQE276 KVVAQQIRQL 286 FPKFADTPIY296 NDEADPLVGW306 SLPQPWRADV316 TYAAMVVKVI326 AQHQNLLLAN 336 TTSAFPYALL346 SNDNAFLSYH356 PHPFAQRTLT366 ARFQVNNTRP376 PHVQLLRKPV 386 LTAMGLLALL396 DEEQLWAEVS406 QAGTVLDSNH416 TVGVLASAHR426 PQGPADAWRA 436 AVLIYASDDT446 RAHPNRSVAV456 TLRLRGVPPG466 PGLVYVTRYL476 DNGLCSPDGE 486 WRRLGRPVFP496 TAEQFRRMRA506 AEDPVAAAPR516 PLPAGGRLTL526 RPALRLPSLL 536 LVHVCARPEK546 PPGQVTRLRA556 LPLTQGQLVL566 VWSDEHVGSK576 CLWTYEIQFS 586 QDGKAYTPVS596 RKPSTFNLFV606 FSPDTGAVSG616 SYRVRALDYW626 ARPGPFSDPV 636 PYLEVP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human alpha-L-iduronidase complex with alpha-L-iduronic acid | ||||
| REF 2 | Human Alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module. Proc Natl Acad Sci U S A. 2013 Sep 3;110(36):14628-33. | ||||
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