Structure of PDB 2ead Chain A Binding Site BS01

Receptor Information
>2ead Chain A (length=886) Species: 1681 (Bifidobacterium bifidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDTSKDDWLWYKQPASQTDATATAGGNYGNPDNNRWQQTTLPFGNGKIGG
TVWGEVSRERVTFNEETLWTGGPGSSTSYNGGNNETKGQNGATLRALNKQ
LANGAETVNPGNLTGGENAAEQGNYLNWGDIYLDYGFNDTTVTEYRRDLN
LSKGKADVTFKHDGVTYTREYFASNPDNVMVARLTASKAGKLNFNVSMPT
NTNYSKTGETTTVKGDTLTVKGALGNNGLLYNSQIKVVLDNGEGTLSEGS
DGASLKVSDAKAVTLYIAAATDYKQKYPSYRTGETAAEVNTRVAKVVQDA
ANKGYTAVKKAHIDDHSAIYDRVKIDLGQSGHSSDGAVATDALLKAYQRG
SATTAQKRELETLVYKYGRYLTIGSSRENSQLPSNLQGIWSVTAGDNAHG
NTPWGSDFHMNVNLQMNYWPTYSANMGELAEPLIEYVEGLVKPGRVTAKV
YAGAETTNPETTPIGEGEGYMAHTENTAYGWTAPGQSFSWGWSPAAVPWI
LQNVYEAYEYSGDPALLDRVYALLKEESHFYVNYMLHKAGSSSGDRLTTG
VAYSPAQGPLGTDGNTYESSLVWQMLNDAIEAAKAKGDPDGLVGNTTDCS
ADNWAKNDSGNFTDANANRSWSCAKSLLKPIEVGDSGQIKEWYFEGALGK
KKDGSTISGYQADNQHRHMSHLLGLFPGDLITIDNSEYMDAAKTSLRYRC
FKGNVLQSNTGWAIGQRINSWARTGDGNTTYQLVELQLKNAMYANLFDYH
APFQIDGNFGNTSGVDEMLLQSNSTFTDTAGKKYVNYTNILPALPDAWAG
GSVSGLVARGNFTVGTTWKNGKATEVRLTSNKGKQAAVKITAGGAQNYEV
KNGDTAVNAKVVTNADGASLLVFDTTAGTTYTITKK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2ead Chain A Residue 899 [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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PDB2ead Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
Resolution1.89 Å
Binding residue
(original residue number in PDB)		G56 E76 S385 S390 L392 P393
Binding residue
(residue number reindexed from 1)		G46 E66 S375 S380 L382 P383
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:2ead, PDBe:2ead, PDBj:2ead
PDBsum2ead
PubMed17459873
UniProtQ6JV24

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