Structure of PDB 5f0z Chain A Binding Site BS02

Receptor Information
>5f0z Chain A (length=308) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSMSRVWLTGDAVVDLIPDGQQHYLKCPGGAPANVAVAIARLSGRSAFFG
RVGNDPFGRFMQQTLTDEQVDCQHLHFDPVHRTSTVVVDLDEHGERSFTF
MVKPSADQFLQLSDIPSFQKGEWLHVCSIALANQPSRSSTFAAIAQMKEV
GGYVSFDPNLREEVWSEPQELQATVMRAVGLADVVKFSEEELQFLTGTQS
IEEGLQAIADFQIPLVVVTLGAKGALVATPNSQQIVSGKAVKPIDTTGAG
DAFVGGLLYRLSVAQDWHNQATILDAVKWANGCGALATTQKGAMTALPNQ
AALYAFLE
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5f0z Chain A Residue 402 [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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PDB5f0z Cloning, expression, purification, crystallization and preliminary X-ray analysis of a fructokinase from Vibrio cholerae O395
Resolution1.75 Å
Binding residue
(original residue number in PDB)		T234 G236 A255 V256 T261 G263 A264 G265 F268 N296 G299 A300
Binding residue
(residue number reindexed from 1)		T219 G221 A240 V241 T246 G248 A249 G250 F253 N281 G284 A285
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G263 A264 G265 D266
Catalytic site (residue number reindexed from 1) G248 A249 G250 D251
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:5f0z, PDBe:5f0z, PDBj:5f0z
PDBsum5f0z
PubMed
UniProtA0A0H3AER7

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