Structure of PDB 2eae Chain A Binding Site BS02

Receptor Information

>2eae Chain A (length=887) Species: 1681 (Bifidobacterium bifidum)

DTSKDDWLWYKQPASQTDATATAGGNYGNPDNNRWQQTTLPFGNGKIGGT
VWGEVSRERVTFNEETLWTGGPGSSTSYNGGNNETKGQNGATLRALNKQL
ANGAETVNPGNLTGGENAAEQGNYLNWGDIYLDYGFNDTTVTEYRRDLNL
SKGKADVTFKHDGVTYTREYFASNPDNVMVARLTASKAGKLNFNVSMPTN
TNYSKTGETTTVKGDTLTVKGALGNNGLLYNSQIKVVLDNGEGTLSEGSD
GASLKVSDAKAVTLYIAAATDYKQKYPSYRTGETAAEVNTRVAKVVQDAA
NKGYTAVKKAHIDDHSAIYDRVKIDLGQSGHSSDGAVATDALLKAYQRGS
ATTAQKRELETLVYKYGRYLTIGSSRENSQLPSNLQGIWSVTAGDNAHGN
TPWGSDFHMNVNLQMNYWPTYSANMGELAEPLIEYVEGLVKPGRVTAKVY
AGAETTNPETTPIGEGEGYMAHTENTAYGWTAPGQSFSWGWSPAAVPWIL
QNVYEAYEYSGDPALLDRVYALLKEESHFYVNYMLHKAGSSSGDRLTTGV
AYSPEQGPLGTDGNTYESSLVWQMLNDAIEAAKAKGDPDGLVGNTTDCSA
DNWAKNDSGNFTDANANRSWSCAKSLLKPIEVGDSGQIKEWYFEGALGKK
KDGSTISGYQADNQHRHMSHLLGLFPGDLITIDNSEYMDAAKTSLRYRCF
KGNVLQSNTGWAIGQRINSWARTGDGNTTYQLVELQLKNAMYANLFDYHA
PFQIAGNFGNTSGVDEMLLQSNSTFTDTAGKKYVNYTNILPALPDAWAGG
SVSGLVARGNFTVGTTWKNGKATEVRLTSNKGKQAAVKITAGGAQNYEVK
NGDTAVNAKVVTNADGASLLVFDTTAGTTYTITKKAS

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 2eae Chain A Residue 899

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2eae Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): L396 W414 H419 N423 E566 R677 H678 W722 H760
• Binding residue (residue number reindexed from 1): L385 W403 H408 N412 E555 R666 H667 W711 H749
• Annotation score: 5

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

External links

• PDB: RCSB:2eae, PDBe:2eae, PDBj:2eae
• PDBsum: 2eae
• PubMed: 17459873
• UniProt: Q6JV24