Structure of PDB 5eyn Chain A Binding Site BS01

Receptor Information
>5eyn Chain A (length=306) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSRVWLTGDAVVDLIPDGQQHYLKCPGGAPANVAVAIARLSGRSAFFGRV
GNDPFGRFMQQTLTDEQVDCQHLHFDPVHRTSTVVVDLDEHGERSFTFMV
KPSADQFLQLSDIPSFQKGEWLHVCSIALANQPSRSSTFAAIAQMKEVGG
YVSFDPNLREEVWSEPQELQATVMRAVGLADVVKFSEEELQFLTGTQSIE
EGLQAIADFQIPLVVVTLGAKGALVATPNSQQIVSGKAVKPIDTTGAGDA
FVGGLLYRLSVAQDWHNQATILDAVKWANGCGALATTQKGAMTALPNQAA
LYAFLE
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain5eyn Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5eyn Cloning, expression, purification, crystallization and preliminary X-ray analysis of a fructokinase from Vibrio cholerae O395
Resolution1.289 Å
Binding residue
(original residue number in PDB)		D26 D30 G45 A46 N49 F113 F115 R176 D266
Binding residue
(residue number reindexed from 1)		D9 D13 G28 A29 N32 F96 F98 R159 D249
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G263 A264 G265 D266
Catalytic site (residue number reindexed from 1) G246 A247 G248 D249
Enzyme Commision number 2.7.1.4: fructokinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008865 fructokinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006000 fructose metabolic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5eyn, PDBe:5eyn, PDBj:5eyn
PDBsum5eyn
PubMed
UniProtA0A0H3AER7

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