Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73134 | Target Info | |||
| Target Name | Beta-galactosidase (GLB1) | ||||
| Synonyms | Lactase; Elastin receptor 1; ELNR1; Acid beta-galactosidase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GLB1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3z,6s,7r,8s,8as)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-A]pyridine-6,7,8-Triol | Ligand Info | |||
| Canonical SMILES | CCCCN=C1N2CC(C(C(C2CS1)O)O)O | ||||
| InChI | 1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1 | ||||
| InChIKey | JBCYQOOELVARNJ-XFWSIPNHSA-N | ||||
| PubChem Compound ID | 76070514 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3WF0 Crystal structure of human beta-galactosidase in complex with 6S-NBI-DGJ | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
QRMFEIDYSR
38 DSFLKDGQPF48 RYISGSIHYS58 RVPRFYWKDR68 LLKMKMAGLN78 AIQTYVPWNF 88 HEPWPGQYQF98 SEDHDVEYFL108 RLAHELGLLV118 ILRPGPYICA128 EWEMGGLPAW 138 LLEKESILLR148 SSDPDYLAAV158 DKWLGVLLPK168 MKPLLYQNGG178 PVITVQVENE 188 YGSYFACDFD198 YLRFLQKRFR208 HHLGDDVVLF218 TTDGAHKTFL228 KCGALQGLYT 238 TVDFGTGSNI248 TDAFLSQRKC258 EPKGPLINSE268 FYTGWLDHWG278 QPHSTIKTEA 288 VASSLYDILA298 RGASVNLYMF308 IGGTNFAYWN318 GANSPYAAQP328 TSYDYDAPLS 338 EAGDLTEKYF348 ALRNIIQKFE358 KVPEGPIPPS368 TPKFAYGKVT378 LEKLKTVGAA 388 LDILCPSGPI398 KSLYPLTFIQ408 VKQHYGFVLY418 RTTLPQDCSN428 PAPLSSPLNG 438 VHDRAYVAVD448 GIPQGVLERN458 NVITLNITGK468 AGATLDLLVE478 NMGRVNYGAY 488 INDFKGLVSN498 LTLSSNILTD508 WTIFPLDTED518 AVRSHLGGWG528 HRNYTLPAFY 552 MGNFSIPSGI562 PDLPQDTFIQ572 FPGWTKGQVW582 INGFNLGRYW592 PARGPQLTLF 602 VPQHILMTSA612 PNTITVLELE622 WAPCSSDDPE632 LCAVTFVDRP642 VIGSS |
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| PDB ID: 3WF4 Crystal structure of human beta-galactosidase mutant I51T in complex with 6S-NBI-DGJ | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
QRMFEIDYSR
38 DSFLKDGQPF48 RYTSGSIHYS58 RVPRFYWKDR68 LLKMKMAGLN78 AIQTYVPWNF 88 HEPWPGQYQF98 SEDHDVEYFL108 RLAHELGLLV118 ILRPGPYICA128 EWEMGGLPAW 138 LLEKESILLR148 SSDPDYLAAV158 DKWLGVLLPK168 MKPLLYQNGG178 PVITVQVENE 188 YGSYFACDFD198 YLRFLQKRFR208 HHLGDDVVLF218 TTDGAHKTFL228 KCGALQGLYT 238 TVDFGTGSNI248 TDAFLSQRKC258 EPKGPLINSE268 FYTGWLDHWG278 QPHSTIKTEA 288 VASSLYDILA298 RGASVNLYMF308 IGGTNFAYWN318 GANSPYAAQP328 TSYDYDAPLS 338 EAGDLTEKYF348 ALRNIIQKFE358 KVPEGPIPPS368 TPKFAYGKVT378 LEKLKTVGAA 388 LDILCPSGPI398 KSLYPLTFIQ408 VKQHYGFVLY418 RTTLPQDCSN428 PAPLSSPLNG 438 VHDRAYVAVD448 GIPQGVLERN458 NVITLNITGK468 AGATLDLLVE478 NMGRVNYGAY 488 INDFKGLVSN498 LTLSSNILTD508 WTIFPLDTED518 AVRSHLGGWG528 HRNYTLPAFY 552 MGNFSIPSGI562 PDLPQDTFIQ572 FPGWTKGQVW582 INGFNLGRYW592 PARGPQLTLF 602 VPQHILMTSA612 PNTITVLELE622 WAPCSSDDPE632 LCAVTFVDRP642 VIGSS |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of pharmacological chaperoning for human beta-galactosidase | ||||
| REF 2 | Structural basis of pharmacological chaperoning for human beta-galactosidase | ||||
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