Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
GALE_HUMAN
Ligand General Information  Top
Ligand Name UDP-glucose Ligand Info
Canonical SMILES C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI 1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKey HSCJRCZFDFQWRP-JZMIEXBBSA-N
PubChem Compound ID 8629
Drug Binding Sites of Target  Top
PDB ID: 1EK6      STRUCTURE OF HUMAN UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH NADH AND UDP-GLUCOSE
Method X-ray diffraction Resolution 1.50 Å Mutation No [1]
PDB Sequence
MAEKVLVTGG
10
AGYIGSHTVL
20
ELLEAGYLPV
30
VIDNFHNAFR
40
GGGSLPESLR
50

RVQELTGRSV
60
EFEEMDILDQ
70
GALQRLFKKY
80
SFMAVIHFAG
90
LKAVGESVQK
100

PLDYYRVNLT
110
GTIQLLEIMK
120
AHGVKNLVFS
130
SSATVYGNPQ
140
YLPLDEAHPT
150

GGCTNPYGKS
160
KFFIEEMIRD
170
LCQADKTWNA
180
VLLRYFNPTG
190
AHASGCIGED
200

PQGIPNNLMP
210
YVSQVAIGRR
220
EALNVFGNDY
230
DTEDGTGVRD
240
YIHVVDLAKG
250

HIAALRKLKE
260
QCGCRIYNLG
270
TGTGYSVLQM
280
VQAMEKASGK
290
KIPYKVVARR
300

EGDVAACYAN
310
PSLAQEELGW
320
TAALGLDRMC
330
EDLWRWQKQN
340
PSGFGT
Residue
Distance (Å)
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
Residue
Distance (Å)
LEU223
3.957
ASN224
2.833
VAL225
3.422
PHE226
2.984
GLY237
3.418
VAL238
4.610
ARG239
2.851
TYR241
3.320
VAL277
3.558
ARG300
2.937
ASP303
2.582
VAL304
4.953
CYS307
4.343
PDB ID: 1I3K      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
GYIGSHTVLE
21
LLEAGYLPVV
31
IDNFHNAFRG
41
GGSLPESLRR
51

VQELTGRSVE
61
FEEMDILDQG
71
ALQRLFKKYS
81
FMAVIHFAGL
91
KAMGESVQKP
101

LDYYRVNLTG
111
TIQLLEIMKA
121
HGVKNLVFSS
131
SATVYGNPQY
141
LPLDEAHPTG
151

GCTNPYGKSK
161
FFIEEMIRDL
171
CQADKTWNVV
181
LLRYFNPTGA
191
HASGCIGEDP
201

QGIPNNLMPY
211
VSQVAIGRRE
221
ALNVFGNDYD
231
TEDGTGVRDY
241
IHVVDLAKGH
251

IAALRKLKEQ
261
CGCRIYNLGT
271
GTGYSVLQMV
281
QAMEKASGKK
291
IPYKVVARRE
301

GDVAACYANP
311
SLAQEELGWT
321
AALGLDRMCE
331
DLWRWQKQNP
341
SGFGTQA
Residue
Distance (Å)
LYS92
4.819
SER132
2.647
ALA133
3.964
THR134
2.901
TYR157
3.856
TYR185
3.985
PHE186
3.111
ASN187
2.737
PRO188
4.981
ASN206
3.652
ASN207
3.178
LEU208
2.915
MET209
4.997
TYR211
4.451
Residue
Distance (Å)
LEU223
3.946
ASN224
2.867
VAL225
3.439
PHE226
2.833
GLY237
3.390
VAL238
4.674
ARG239
2.682
TYR241
3.435
VAL277
3.493
ARG300
2.712
ASP303
2.515
VAL304
4.963
CYS307
4.551
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 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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