Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: NADH | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH NADH AND UDP-GLUCOSE | PDB:1EK6 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [1] |
| PDB Sequence |
MAEKVLVTGG
10 AGYIGSHTVL20 ELLEAGYLPV30 VIDNFHNAFR40 GGGSLPESLR50 RVQELTGRSV 60 EFEEMDILDQ70 GALQRLFKKY80 SFMAVIHFAG90 LKAVGESVQK100 PLDYYRVNLT 110 GTIQLLEIMK120 AHGVKNLVFS130 SSATVYGNPQ140 YLPLDEAHPT150 GGCTNPYGKS 160 KFFIEEMIRD170 LCQADKTWNA180 VLLRYFNPTG190 AHASGCIGED200 PQGIPNNLMP 210 YVSQVAIGRR220 EALNVFGNDY230 DTEDGTGVRD240 YIHVVDLAKG250 HIAALRKLKE 260 QCGCRIYNLG270 TGTGYSVLQM280 VQAMEKASGK290 KIPYKVVARR300 EGDVAACYAN 310 PSLAQEELGW320 TAALGLDRMC330 EDLWRWQKQN340 PSGFGT
|
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GLY9
3.358
ALA11
3.884
GLY12
3.203
TYR13
2.973
ILE14
2.856
GLY15
4.184
ILE32
4.701
ASP33
2.600
ASN34
3.114
PHE35
3.800
HIS36
3.126
ASN37
2.860
ALA38
3.490
MET65
3.604
ASP66
2.837
ILE67
3.104
LEU68
4.593
|
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| Ligand Name: Nicotinamide-Adenine-Dinucleotide | Ligand Info | |||||
| Structure Description | HUMAN UDP-GALACTOSE 4-EPIMERASE: ACCOMMODATION OF UDP-N-ACETYLGLUCOSAMINE WITHIN THE ACTIVE SITE | PDB:1HZJ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
| 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
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GLY9
3.374
ALA11
3.797
GLY12
3.107
TYR13
2.898
ILE14
2.818
GLY15
4.196
ILE32
4.616
ASP33
2.657
ASN34
2.995
PHE35
3.653
HIS36
3.060
ASN37
2.843
ALA38
3.703
MET65
3.604
ASP66
2.769
ILE67
3.257
LEU68
4.728
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: UDP-glucose | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH NADH AND UDP-GLUCOSE | PDB:1EK6 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [1] |
| PDB Sequence |
MAEKVLVTGG
10 AGYIGSHTVL20 ELLEAGYLPV30 VIDNFHNAFR40 GGGSLPESLR50 RVQELTGRSV 60 EFEEMDILDQ70 GALQRLFKKY80 SFMAVIHFAG90 LKAVGESVQK100 PLDYYRVNLT 110 GTIQLLEIMK120 AHGVKNLVFS130 SSATVYGNPQ140 YLPLDEAHPT150 GGCTNPYGKS 160 KFFIEEMIRD170 LCQADKTWNA180 VLLRYFNPTG190 AHASGCIGED200 PQGIPNNLMP 210 YVSQVAIGRR220 EALNVFGNDY230 DTEDGTGVRD240 YIHVVDLAKG250 HIAALRKLKE 260 QCGCRIYNLG270 TGTGYSVLQM280 VQAMEKASGK290 KIPYKVVARR300 EGDVAACYAN 310 PSLAQEELGW320 TAALGLDRMC330 EDLWRWQKQN340 PSGFGT
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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 .UPG or .UPG2 or .UPG3 or :3UPG;style chemicals stick;color identity;select .A:92 or .A:94 or .A:132 or .A:133 or .A:134 or .A:157 or .A:185 or .A:186 or .A:187 or .A:206 or .A:207 or .A:208 or .A:209 or .A:211 or .A:223 or .A:224 or .A:225 or .A:226 or .A:237 or .A:238 or .A:239 or .A:241 or .A:277 or .A:300 or .A:303 or .A:304 or .A:307; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS92
4.754
VAL94
4.994
SER132
2.403
ALA133
3.754
THR134
3.560
TYR157
3.236
TYR185
3.855
PHE186
3.321
ASN187
3.046
ASN206
3.450
ASN207
2.808
LEU208
2.829
MET209
4.956
TYR211
4.208
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Uridine Diphosphate Galactose | Ligand Info | |||||
| Structure Description | MOLECULAR BASIS FOR SEVERE EPIMERASE-DEFICIENCY GALACTOSEMIA: X-RAY STRUCTURE OF THE HUMAN V94M-SUBSTITUTED UDP-GALACTOSE 4-EPIMERASE | PDB:1I3L | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| 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
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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 .GDU or .GDU2 or .GDU3 or :3GDU;style chemicals stick;color identity;select .A:93 or .A:95 or .A:134 or .A:155 or .A:187 or .A:205 or .A:206 or .A:207 or .A:208 or .A:209 or .A:211 or .A:223 or .A:224 or .A:225 or .A:226 or .A:237 or .A:238 or .A:239 or .A:241 or .A:277 or .A:300 or .A:302 or .A:303 or .A:304; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA93
3.873
GLY95
4.348
THR134
4.527
ASN155
3.482
ASN187
2.667
PRO205
4.989
ASN206
3.218
ASN207
3.247
LEU208
2.885
MET209
4.994
TYR211
4.432
LEU223
4.103
|
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| Ligand Name: Uridine-Diphosphate-N-Acetylglucosamine | Ligand Info | |||||
| Structure Description | HUMAN UDP-GALACTOSE 4-EPIMERASE: ACCOMMODATION OF UDP-N-ACETYLGLUCOSAMINE WITHIN THE ACTIVE SITE | PDB:1HZJ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
| 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
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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 .UD1 or .UD12 or .UD13 or :3UD1;style chemicals stick;color identity;select .A:94 or .A:132 or .A:134 or .A:157 or .A:186 or .A:187 or .A:188 or .A:206 or .A:207 or .A:208 or .A:211 or .A:223 or .A:224 or .A:225 or .A:226 or .A:237 or .A:238 or .A:239 or .A:241 or .A:277 or .A:300 or .A:301 or .A:303 or .A:304; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystallographic evidence for Tyr 157 functioning as the active site base in human UDP-galactose 4-epimerase. Biochemistry. 2000 May 16;39(19):5691-701. | ||||
| REF 2 | 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 3 | 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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