Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T31514 | Target Info | |||
| Target Name | Lysosomal alpha-glucosidase (GAA) | ||||
| Synonyms | GAA; Aglucosidase alfa; Acid maltase | ||||
| Target Type | Successful Target | ||||
| Gene Name | GAA | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cysteine Sulfenic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SO | ||||
| InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165339 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5NN5 Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
QCDVPPNSRF
90 DCAPDKAITQ100 EQCEARGCCY110 IPAKQGQPWC127 FFPPSYPSYK137 LENLSSSEMG 147 YTATLTRTTP157 TFFPKDILTL167 RLDVMMETEN177 RLHFTIKDPA187 NRRYEVPLET 197 APSPLYSVEF213 SEEPFGVIVH223 RQLDGRVLLN233 TTVAPLFFAD243 QFLQLSTSLP 253 SQYITGLAEH263 LSPLMLSTSW273 TRITLWNRDL283 APTPGANLYG293 SHPFYLALED 303 GGSAHGVFLL313 NSNAMDVVLQ323 PSPALSWRST333 GGILDVYIFL343 GPEPKSVVQQ 353 YLDVVGYPFM363 PPYWGLGFHL373 CRWGYSSTAI383 TRQVVENMTR393 AHFPLDVQWN 403 DLDYMDSRRD413 FTFNKDGFRD423 FPAMVQELHQ433 GGRRYMMIVD443 PAISSSGPAG 453 SYRPYDEGLR463 RGVFITNETG473 QPLIGKVWPG483 STAFPDFTNP493 TALAWWEDMV 503 AEFHDQVPFD513 GMWIDMNEPS523 NFIRGSEDGC533 PNNELENPPY543 VPGVVGGTLQ 553 AATICASSHQ563 FLSTHYNLHN573 LYGLTEAIAS583 HRALVKARGT593 RPFVISRSTF 603 AGHGRYAGHW613 TGDVWSSWEQ623 LASSVPEILQ633 FNLLGVPLVG643 ADVCGFLGNT 653 SEELCVRWTQ663 LGAFYPFMRN673 HNSLLSLPQE683 PYSFSEPAQQ693 AMRKALTLRY 703 ALLPHLYTLF713 HQAHVAGETV723 ARPLFLEFPK733 DSSTWTVDHQ743 LLWGEALLIT 753 PVLQAGKAEV763 TGYFPLGTWY773 DLQTVPIEEP796 AIHSEGQWVT806 LPAPLDTINV 816 HLRAGYIIPL826 QGPGLTTTES836 RQQPMALAVA846 LTKGGEARGE856 LFWDDGESLE 866 VLERGAYTQV876 IFLARNNTIV886 NELVRVTSEG896 AGLQLQKVTV906 LGVATAPQQV 916 LSNGVPVSNF926 TYSPDTKVLD936 IVSLLMGEQF947 LVSWC
|
|||||
|
|
||||||
| PDB ID: 5NN6 Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
QCDVPPNSRF
90 DCAPDKAITQ100 EQCEARGCCY110 IPAKQGQPWC127 FFPPSYPSYK137 LENLSSSEMG 147 YTATLTRTTP157 TFFPKDILTL167 RLDVMMETEN177 RLHFTIKDPA187 NRRYEVPLAP 205 SPLYSVEFSE215 EPFGVIVHRQ225 LDGRVLLNTT235 VAPLFFADQF245 LQLSTSLPSQ 255 YITGLAEHLS265 PLMLSTSWTR275 ITLWNRDLAP285 TPGANLYGSH295 PFYLALEDGG 305 SAHGVFLLNS315 NAMDVVLQPS325 PALSWRSTGG335 ILDVYIFLGP345 EPKSVVQQYL 355 DVVGYPFMPP365 YWGLGFHLCR375 WGYSSTAITR385 QVVENMTRAH395 FPLDVQWNDL 405 DYMDSRRDFT415 FNKDGFRDFP425 AMVQELHQGG435 RRYMMIVDPA445 ISSSGPAGSY 455 RPYDEGLRRG465 VFITNETGQP475 LIGKVWPGST485 AFPDFTNPTA495 LAWWEDMVAE 505 FHDQVPFDGM515 WIDMNEPSNF525 IRGSEDGCPN535 NELENPPYVP545 GVVGGTLQAA 555 TICASSHQFL565 STHYNLHNLY575 GLTEAIASHR585 ALVKARGTRP595 FVISRSTFAG 605 HGRYAGHWTG615 DVWSSWEQLA625 SSVPEILQFN635 LLGVPLVGAD645 VCGFLGNTSE 655 ELCVRWTQLG665 AFYPFMRNHN675 SLLSLPQEPY685 SFSEPAQQAM695 RKALTLRYAL 705 LPHLYTLFHQ715 AHVAGETVAR725 PLFLEFPKDS735 STWTVDHQLL745 WGEALLITPV 755 LQAGKAEVTG765 YFPLGTWYDL775 QTVPIEREPA797 IHSEGQWVTL807 PAPLDTINVH 817 LRAGYIIPLQ827 GPGLTTTESR837 QQPMALAVAL847 TKGGEARGEL857 FWDDGESLEV 867 LERGAYTQVI877 FLARNNTIVN887 ELVRVTSEGA897 GLQLQKVTVL907 GVATAPQQVL 917 SNGVPVSNFT927 YSPDTKVLDI937 VSLLMGEQFL948 VSWC
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human lysosomal acid Alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun. 2017 Oct 24;8(1):1111. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.