Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T96014 | Target Info | |||
| Target Name | UDP-glucose 4-epimerase (GALE) | ||||
| Synonyms | UDP-galactose4-epimerase; UDP-galactose4'-epimerase; UDP-galactose 4-epimerase; UDP-N-acetylglucosamine 4-epimerase; UDP-N-acetylgalactosamine 4-epimerase; UDP-GlcNAc 4-epimerase; UDP-GalNAc 4-epimerase; Galactowaldenase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | GALE | ||||
| Biochemical Class | Racemases and epimerase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Uridine-Diphosphate-N-Acetylglucosamine | Ligand Info | |||
| Canonical SMILES | CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O | ||||
| InChI | 1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1 | ||||
| InChIKey | LFTYTUAZOPRMMI-CFRASDGPSA-N | ||||
| PubChem Compound ID | 445675 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1HZJ HUMAN UDP-GALACTOSE 4-EPIMERASE: ACCOMMODATION OF UDP-N-ACETYLGLUCOSAMINE WITHIN THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [1] |
| PDB Sequence |
AEKVLVTGGA
11 GYIGSHTVLE21 LLEAGYLPVV31 IDNFHNAFRG41 GGSLPESLRR51 VQELTGRSVE 61 FEEMDILDQG71 ALQRLFKKYS81 FMAVIHFAGL91 KAVGESVQKP101 LDYYRVNLTG 111 TIQLLEIMKA121 HGVKNLVFSS131 SATVYGNPQY141 LPLDEAHPTG151 GCTNPYGKSK 161 FFIEEMIRDL171 CQADKTWNVV181 LLRYFNPTGA191 HASGCIGEDP201 QGIPNNLMPY 211 VSQVAIGRRE221 ALNVFGNDYD231 TEDGTGVRDY241 IHVVDLAKGH251 IAALRKLKEQ 261 CGCRIYNLGT271 GTGYSVLQMV281 QAMEKASGKK291 IPYKVVARRE301 GDVAACYANP 311 SLAQEELGWT321 AALGLDRMCE331 DLWRWQKQNP341 SGFGT
|
|||||
|
|
VAL94
3.207
SER132
3.261
THR134
4.082
TYR157
3.725
PHE186
4.203
ASN187
2.913
PRO188
4.648
ASN206
3.480
ASN207
3.017
LEU208
2.993
TYR211
4.220
LEU223
3.660
|
|||||
| PDB ID: 1I3M MOLECULAR BASIS FOR SEVERE EPIMERASE-DEFICIENCY GALACTOSEMIA: X-RAY STRUCTURE OF THE HUMAN V94M-SUBSTITUTED UDP-GALACTOSE 4-EPIMERASE | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
AEKVLVTGGA
11 GYIGSHTVLE21 LLEAGYLPVV31 IDNFHNAFRG41 GGSLPESLRR51 VQELTGRSVE 61 FEEMDILDQG71 ALQRLFKKYS81 FMAVIHFAGL91 KAMGESVQKP101 LDYYRVNLTG 111 TIQLLEIMKA121 HGVKNLVFSS131 SATVYGNPQY141 LPLDEAHPTG151 GCTNPYGKSK 161 FFIEEMIRDL171 CQADKTWNVV181 LLRYFNPTGA191 HASGCIGEDP201 QGIPNNLMPY 211 VSQVAIGRRE221 ALNVFGNDYD231 TEDGTGVRDY241 IHVVDLAKGH251 IAALRKLKEQ 261 CGCRIYNLGT271 GTGYSVLQMV281 QAMEKASGKK291 IPYKVVARRE301 GDVAACYANP 311 SLAQEELGWT321 AALGLDRMCE331 DLWRWQKQNP341 SGFGTQA
|
|||||
|
|
LYS92
4.497
ALA93
3.518
SER132
4.953
THR134
3.986
TYR157
3.602
ASN187
2.686
ASN206
3.633
ASN207
3.271
LEU208
2.943
TYR211
4.460
LEU223
3.999
ASN224
2.887
|
|||||
| PDB ID: 1I3N MOLECULAR BASIS FOR SEVERE EPIMERASE-DEFICIENCY GALACTOSEMIA: X-RAY STRUCTURE OF THE HUMAN V94M-SUBSTITUTED UDP-GALACTOSE 4-EPIMERASE | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
AEKVLVTGGA
11 GYIGSHTVLE21 LLEAGYLPVV31 IDNFHNAFRG41 GGSLPESLRR51 VQELTGRSVE 61 FEEMDILDQG71 ALQRLFKKYS81 FMAVIHFAGL91 KAMGESVQKP101 LDYYRVNLTG 111 TIQLLEIMKA121 HGVKNLVFSS131 SATVYGNPQY141 LPLDEAHPTG151 GCTNPYGKSK 161 FFIEEMIRDL171 CQADKTWNVV181 LLRYFNPTGA191 HASGCIGEDP201 QGIPNNLMPY 211 VSQVAIGRRE221 ALNVFGNDYD231 TEDGTGVRDY241 IHVVDLAKGH251 IAALRKLKEQ 261 CGCRIYNLGT271 GTGYSVLQMV281 QAMEKASGKK291 IPYKVVARRE301 GDVAACYANP 311 SLAQEELGWT321 AALGLDRMCE331 DLWRWQKQNP341 SGFGTQA
|
|||||
|
|
LYS92
4.442
ALA93
3.629
SER132
4.995
THR134
4.006
ASN155
4.500
TYR157
3.728
ASN187
2.775
PRO205
4.926
ASN206
3.597
ASN207
3.350
LEU208
2.929
TYR211
4.417
LEU223
3.994
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Human UDP-galactose 4-epimerase. Accommodation of UDP-N-acetylglucosamine within the active site. J Biol Chem. 2001 May 4;276(18):15131-6. | ||||
| REF 2 | Molecular basis for severe epimerase deficiency galactosemia. X-ray structure of the human V94m-substituted UDP-galactose 4-epimerase. J Biol Chem. 2001 Jun 8;276(23):20617-23. | ||||
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