Structure of PDB 5fmc Chain A Binding Site BS01

Receptor Information
>5fmc Chain A (length=624) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSLDQTVAPGNLTLCGNATLFTTFRPKARFIAPEGWMNAPMGLYQRADGS
IHAGYQSHPKHIQWGNISQGAAYSSDFTSWTDFNGSEGYKTIWPSQIYDI
RGVFDGSIIKEGIDGYPTILYTSTSFGPLGATLNEAEGTETQSLAYTTDD
GASWIKLGYGAGQNPVIYEWPETNLTGFRDPYVFQSPRLEALLANTTSIT
NATGDHFATISGGVHGDGARLFLYRQHTTGEFIKWTYLGPLVTTGYKESY
GEWSGNYGINFETAGVTRLNPAGAAWDNGSDTTAVDFVTFGTEQGRADHQ
NHWPLWAAVDYEVRDNGSIEAVIAYSGVQDWGRSYAYASFPVEGYRQVSV
GWIYEDDDNVILAKQFGYQGAFTLFRDLFVKVVENVSPSTPGLFEQASWS
TKNSTDGMSVTVTTLGQRVVPETLAAYKGNSTVSTLAPVMLNESAAAYTP
FSSQPTDRFYALTGSFEFGLNTTAKAGFRVLASEEEYTDIWFDPASENLT
VVRTASSLIKSFGNDTELAKVKLYEIVGAESKTLNLTVFVDGSVIEIYAN
DEVALSTRAYPWLANSTGAGLLADGTTAGDVVGVSGLELWDGLVDAWPAR
PANTSQGLVWDGPTAAMYGLFAGY
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 chain5fmc Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fmc Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
Resolution1.84 Å
Binding residue
(original residue number in PDB)		N79 Q97 W105 F145 D146 R220 D221 E303 Y376
Binding residue
(residue number reindexed from 1)		N38 Q56 W64 F104 D105 R179 D180 E262 Y335
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A80 E303
Catalytic site (residue number reindexed from 1) A39 E262
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5fmc, PDBe:5fmc, PDBj:5fmc
PDBsum5fmc
PubMed26823463
UniProtJ7HDY4

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