Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Migalastat | Ligand Info | |||||
| Structure Description | Crystal structure of human beta-galactosidase in complex with 1-deoxygalactonojirimycin | PDB:3THD | ||||
| Method | X-ray diffraction | Resolution | 1.79 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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| Ligand Name: N-Octyl-4-epi-beta-valienamine | Ligand Info | |||||
| Structure Description | Crystal structure of human beta-galactosidase in complex with NOEV | PDB:3WEZ | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [2] |
| 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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| Ligand Name: (3e,5s,6r,7s,8s,8as)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-A]pyridine-5,6,7,8-Tetrol | Ligand Info | |||||
| Structure Description | Crystal structure of human beta-galactosidase in complex with 6S-NBI-GJ | PDB:3WF1 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6GJ or .6GJ2 or .6GJ3 or :36GJ;style chemicals stick;color identity;select .A:83 or .A:126 or .A:127 or .A:128 or .A:129 or .A:187 or .A:188 or .A:241 or .A:268 or .A:270 or .A:273 or .A:274 or .A:306 or .A:331 or .A:333 or .A:484 or .A:485; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (3z,6s,7r,8s,8as)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-A]pyridine-6,7,8-Triol | Ligand Info | |||||
| Structure Description | Crystal structure of human beta-galactosidase in complex with 6S-NBI-DGJ | PDB:3WF0 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6DJ or .6DJ2 or .6DJ3 or :36DJ;style chemicals stick;color identity;select .A:83 or .A:121 or .A:126 or .A:127 or .A:128 or .A:129 or .A:187 or .A:188 or .A:241 or .A:268 or .A:270 or .A:273 or .A:274 or .A:306 or .A:331 or .A:333 or .A:484 or .A:485; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2r,3s,4r,5s)-N-Butyl-3,4,5-Trihydroxy-2-(Hydroxymethyl)piperidine-1-Carbothioamide | Ligand Info | |||||
| Structure Description | Crystal structure of human beta-galactosidase in complex with NBT-DGJ | PDB:3WF2 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NDJ or .NDJ2 or .NDJ3 or :3NDJ;style chemicals stick;color identity;select .A:83 or .A:121 or .A:126 or .A:127 or .A:128 or .A:129 or .A:187 or .A:188 or .A:241 or .A:268 or .A:270 or .A:273 or .A:274 or .A:276 or .A:306 or .A:321 or .A:331 or .A:333 or .A:484 or .A:485; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR83
2.965
ARG121
4.940
ILE126
3.397
CYS127
3.444
ALA128
2.854
GLU129
2.682
ASN187
2.976
GLU188
3.436
ASP241
4.596
GLU268
2.597
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| Ligand Name: beta-D-galactose | Ligand Info | |||||
| Structure Description | Crystal structure of human beta-galactosidase in complex with galactose | PDB:3THC | ||||
| Method | X-ray diffraction | Resolution | 1.80 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GAL or .GAL2 or .GAL3 or :3GAL;style chemicals stick;color identity;select .A:83 or .A:126 or .A:127 or .A:128 or .A:129 or .A:187 or .A:188 or .A:241 or .A:268 or .A:270 or .A:273 or .A:274 or .A:306 or .A:331 or .A:333 or .A:484; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human beta-galactosidase: structural basis of Gm1 gangliosidosis and morquio B diseases. J Biol Chem. 2012 Jan 13;287(3):1801-12. | ||||
| REF 2 | Structural basis of pharmacological chaperoning for human beta-galactosidase | ||||
| REF 3 | Structural basis of pharmacological chaperoning for human beta-galactosidase | ||||
| REF 4 | Structural basis of pharmacological chaperoning for human beta-galactosidase | ||||
| REF 5 | Structural basis of pharmacological chaperoning for human beta-galactosidase | ||||
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