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 | (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(C(O1)O)O)O)O)O | ||||
| InChI | 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | ||||
| InChIKey | WQZGKKKJIJFFOK-DVKNGEFBSA-N | ||||
| PubChem Compound ID | 79025 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5KZW Crystal structure of human GAA | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
PTQCDVPPNS
88 RFDCAPDKAI98 TQEQCEARGC108 CYIPAKQMGQ124 PWCFFPPSYP134 SYKLENLSSS 144 EMGYTATLTR154 TTPTFFPKDI164 LTLRLDVMME174 TENRLHFTIK184 DPANRRYEVP 194 LETPSPLYSV211 EFSEEPFGVI221 VHRQLDGRVL231 LNTTVAPLFF241 ADQFLQLSTS 251 LPSQYITGLA261 EHLSPLMLST271 SWTRITLWNR281 DLAPTPGANL291 YGSHPFYLAL 301 EDGGSAHGVF311 LLNSNAMDVV321 LQPSPALSWR331 STGGILDVYI341 FLGPEPKSVV 351 QQYLDVVGYP361 FMPPYWGLGF371 HLCRWGYSST381 AITRQVVENM391 TRAHFPLDVQ 401 WNDLDYMDSR411 RDFTFNKDGF421 RDFPAMVQEL431 HQGGRRYMMI441 VDPAISSSGP 451 AGSYRPYDEG461 LRRGVFITNE471 TGQPLIGKVW481 PGSTAFPDFT491 NPTALAWWED 501 MVAEFHDQVP511 FDGMWIDMNE521 PSNFIRGSED531 GCPNNELENP541 PYVPGVVGGT 551 LQAATICASS561 HQFLSTHYNL571 HNLYGLTEAI581 ASHRALVKAR591 GTRPFVISRS 601 TFAGHGRYAG611 HWTGDVWSSW621 EQLASSVPEI631 LQFNLLGVPL641 VGADVCGFLG 651 NTSEELCVRW661 TQLGAFYPFM671 RNHNSLLSLP681 QEPYSFSEPA691 QQAMRKALTL 701 RYALLPHLYT711 LFHQAHVAGE721 TVARPLFLEF731 PKDSSTWTVD741 HQLLWGEALL 751 ITPVLQAGKA761 EVTGYFPLGT771 WYDLQTVPIE781 PREPAIHSEG802 QWVTLPAPLD 812 TINVHLRAGY822 IIPLQGPGLT832 TTESRQQPMA842 LAVALTKGGE852 ARGELFWDDG 862 ESLEVLERGA872 YTQVIFLARN882 NTIVNELVRV892 TSEGAGLQLQ902 KVTVLGVATA 912 PQQVLSNGVP922 VSNFTYSPDT932 KVLDICVSLL942 MGEQFLVSWC952 |
|||||
|
|
ASP91
2.722
CYS92
4.843
ALA93
3.012
PRO94
4.610
LYS96
4.935
ILE98
4.649
MET122
3.327
GLY123
2.842
GLN124
3.325
PRO125
3.252
TRP126
2.929
CYS127
2.784
PHE128
4.959
TRP376
3.732
ASP404
2.675
|
|||||
| PDB ID: 5KZX Crystal structure of human GAA | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
PTQCDVPPNS
88 RFDCAPDKAI98 TQEQCEARGC108 CYIPAKQMGQ124 PWCFFPPSYP134 SYKLENLSSS 144 EMGYTATLTR154 TTPTFFPKDI164 LTLRLDVMME174 TENRLHFTIK184 DPANRRYEVP 194 LETPSPLYSV211 EFSEEPFGVI221 VHRQLDGRVL231 LNTTVAPLFF241 ADQFLQLSTS 251 LPSQYITGLA261 EHLSPLMLST271 SWTRITLWNR281 DLAPTPGANL291 YGSHPFYLAL 301 EDGGSAHGVF311 LLNSNAMDVV321 LQPSPALSWR331 STGGILDVYI341 FLGPEPKSVV 351 QQYLDVVGYP361 FMPPYWGLGF371 HLCRWGYSST381 AITRQVVENM391 TRAHFPLDVQ 401 WNDLDYMDSR411 RDFTFNKDGF421 RDFPAMVQEL431 HQGGRRYMMI441 VDPAISSSGP 451 AGSYRPYDEG461 LRRGVFITNE471 TGQPLIGKVW481 PGSTAFPDFT491 NPTALAWWED 501 MVAEFHDQVP511 FDGMWIDMNE521 PSNFIRGSED531 GCPNNELENP541 PYVPGVVGGT 551 LQAATICASS561 HQFLSTHYNL571 HNLYGLTEAI581 ASHRALVKAR591 GTRPFVISRS 601 TFAGHGRYAG611 HWTGDVWSSW621 EQLASSVPEI631 LQFNLLGVPL641 VGADVCGFLG 651 NTSEELCVRW661 TQLGAFYPFM671 RNHNSLLSLP681 QEPYSFSEPA691 QQAMRKALTL 701 RYALLPHLYT711 LFHQAHVAGE721 TVARPLFLEF731 PKDSSTWTVD741 HQLLWGEALL 751 ITPVLQAGKA761 EVTGYFPLGT771 WYDLQTVPIE781 PREPAIHSEG802 QWVTLPAPLD 812 TINVHLRAGY822 IIPLQGPGLT832 TTESRQQPMA842 LAVALTKGGE852 ARGELFWDDG 862 ESLEVLERGA872 YTQVIFLARN882 NTIVNELVRV892 TSEGAGLQLQ902 KVTVLGVATA 912 PQQVLSNGVP922 VSNFTYSPDT932 KVLDICVSLL942 MGEQFLVSWC952 |
|||||
|
|
ASP91
2.722
CYS92
4.843
ALA93
3.012
PRO94
4.610
LYS96
4.935
ILE98
4.649
MET122
3.327
GLY123
2.842
GLN124
3.325
PRO125
3.252
TRP126
2.929
CYS127
2.784
PHE128
4.959
TRP376
3.732
ASP404
2.675
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The structure of human GAA: structural basis of Pompe disease | ||||
| REF 2 | The structure of human GAA: structural basis of Pompe disease | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.