Structure of PDB 2ux8 Chain A Binding Site BS01

Receptor Information
>2ux8 Chain A (length=255) Species: 179878 (Sphingomonas elodea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIKPLRKAVFPVAGLGTRFLPATKAMPKEMLPVVDRPLIQYAVDEAVEAG
IEQMIFVTGRGKSALEDHFDIAYELEATMAARGKSLDVLDGTRLKPGNIA
YVRQQEPMGLGHAVWCARDIVGDEPFAVLLPDDFMFGQPGCLKQMVDAYN
KVGGNLICAEIITPGTQDGVLTEVNLSVIGRYILQPEVMRILENQGLTDA
MQRMIGDQPFHGVTFQGTRYDCGDKAGFIQANLAVALSRPDLEPAVRAFA
VKALG
Ligand information
Ligand IDG1P
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyHXXFSFRBOHSIMQ-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
FormulaC6 H13 O9 P
Name1-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-glucose;
1-O-phosphono-D-glucose;
1-O-phosphono-glucose
ChEMBL
DrugBankDB02843
ZINCZINC000004073375
PDB chain2ux8 Chain A Residue 1290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ux8 The Complex of Sphingomonas Elodea Atcc 31461 Glucose-1-Phosphate Uridylyltransferase with Glucose-1-Phosphate Reveals a Novel Quaternary Structure, Unique Among Nucleoside Diphosphate-Sugar Pyrophosphorylase Members.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		L131 V204 Y208
Binding residue
(residue number reindexed from 1)		L130 V178 Y182
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.9: UTP--glucose-1-phosphate uridylyltransferase.
Gene Ontology
Molecular Function
GO:0003983 UTP:glucose-1-phosphate uridylyltransferase activity
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0006011 UDP-glucose metabolic process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ux8, PDBe:2ux8, PDBj:2ux8
PDBsum2ux8
PubMed17434970
UniProtQ5FYV5

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