Structure of PDB 3enk Chain B Binding Site BS02

Receptor Information
>3enk Chain B (length=339) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSTKGTILVTGGAGYIGSHTAVELLAHGYDVVIADNLVNSKREAIARIEK
ITGKTPAFHETDVSDERALARIFDAHPITAAIHFAALKAVGESVAKPIEY
YRNNLDSLLSLLRVMRERAVKRIVFSSSATVYGVPERSPIDETFPLSATN
PYGQTKLMAEQILRDVEAADPSWRVATLRYFNPVGAHESGLIGEDPAGIP
NNLMPYVAQVAVGKLEKLRVFGSDYPTPDGTGVRDYIHVVDLARGHIAAL
DALERRDASLTVNLGTGRGYSVLEVVRAFEKASGRAVPYELVARRPGDVA
ECYANPAAAAETIGWKAERDLERMCADHWRWQENNPRGF
Ligand information
Ligand IDUPG
InChIInChI=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
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6C1=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
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain3enk Chain B Residue 342 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3enk 1.9A crystal structure of udp-glucose 4-epimerase from burkholderia pseudomallei
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V90 N182 N202 L203 R219 V220 F221 R234 Y236 V272 R295 D298
Binding residue
(residue number reindexed from 1)		V90 N182 N202 L203 R219 V220 F221 R234 Y236 V272 R295 D298
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S127 S128 T130 Y152 K156
Catalytic site (residue number reindexed from 1) S127 S128 T130 Y152 K156
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003978 UDP-glucose 4-epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006012 galactose metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
Cellular Component
GO:0005829 cytosol

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3enk, PDBe:3enk, PDBj:3enk
PDBsum3enk
PubMed
UniProtQ3JPI3

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