Structure of PDB 2eac Chain B Binding Site BS03

Receptor Information
>2eac Chain B (length=885) Species: 1681 (Bifidobacterium bifidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGDTSKDDWLWYKQPASQTDATATAGGNYGNPDNNRWQQTTLPFGNGKIG
GTVWGEVSRERVTFNEETLWTGGPGSSTSYNGGNNETKGQNGATLRALNK
QLANGAETVNPGNLTGGENAAEQGNYLNWGDIYLDYGFNDTTVTEYRRDL
NLSKGKADVTFKHDGVTYTREYFASNPDNVMVARLTASKAGKLNFNVSMP
TNTNYSKTGETTTVKGDTLTVKGALGNNGLLYNSQIKVVLDNGTLSEGSD
GASLKVSDAKAVTLYIAAATDYKQKYPSYRTGETAAEVNTRVAKVVQDAA
NKGYTAVKKAHIDDHSAIYDRVKIDLGQSGHSSDGAVATDALLKAYQRGS
ATTAQKRELETLVYKYGRYLTIGSSRENSQLPSNLQGIWSVTAGDNAHGN
TPWGSDFHMNVNLQMNYWPTYSANMGELAEPLIEYVEGLVKPGRVTAKVY
AGAETTNPETTPIGEGEGYMAHTENTAYGWTAPGQSFSWGWSPAAVPWIL
QNVYEAYEYSGDPALLDRVYALLKEESHFYVNYMLHKAGSSSGDRLTTGV
AYSPEQGPLGTDGNTYESSLVWQMLNDAIEAAKAKGDPDGLVGNTTDCSA
DNWAKNDSGNFTDANANRSWSCAKSLLKPIEVGDSGQIKEWYFEGALGKK
KDGSTISGYQADNQHRHMSHLLGLFPGDLITIDNSEYMDAAKTSLRYRCF
KGNVLQSNTGWAIGQRINSWARTGDGNTTYQLVELQLKNAMYANLFDYHA
PFQIDGNFGNTSGVDEMLLQSNSTFTDTAGKKYVNYTNILPALPDAWAGG
SVSGLVARGNFTVGTTWKNGKATEVRLTSNKGKQAAVKITAGGAQNYEVK
NGDTAVNAKVVTNADGASLLVFDTTAGTTYTITKK
Ligand information
Ligand IDDFU
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKeyVYOCYWDJTQRZLC-KCDKBNATSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(NCC(O)C1O)C
CACTVS 3.341C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O
OpenEye OEToolkits 1.5.0CC1C(C(C(CN1)O)O)O
CACTVS 3.341C[CH]1NC[CH](O)[CH](O)[CH]1O
FormulaC6 H13 N O3
Name(2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL;
DEOXYFUCONOJIRIMYCIN
ChEMBLCHEMBL314772
DrugBank
ZINCZINC000002585424
PDB chain2eac Chain B Residue 1691 [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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PDB2eac Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W414 H419 N423 E566 R677 H678 W722 H760
Binding residue
(residue number reindexed from 1)		W403 H408 N412 E555 R666 H667 W711 H749
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.63: 1,2-alpha-L-fucosidase.
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2eac, PDBe:2eac, PDBj:2eac
PDBsum2eac
PubMed17459873
UniProtQ6JV24

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