Structure of PDB 3uet Chain B Binding Site BS02

Receptor Information
>3uet Chain B (length=456) Species: 391904 (Bifidobacterium longum subsp. infantis ATCC 15697 = JCM 1222 = DSM 20088) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INLNYLANVRPSSRQLAWQRMEMYAFLHFGMNTMTDREWGLGHEDPALFN
PRNVDVDQWMDALVAGGMAGVILTCKHHDGFCLWPSRLTRHTVASSPWRE
GKGDLVREVSESARRHGLKFGVYLSPWDRTEESYGKGKAYDDFYVGQLTE
LLTQYGPIFSVWLAGANGEGKNGKTQYYDWDRYYNVIRSLQPDAVISVCG
PDVRWAGNAAGHVRDNEWSVVPRRLRSAELTTVSSQDDDLGSREAVAGYG
DNVCWYPAEVDTSIRPGWFYHQSEDDKVMSADQLFDLWLSAVGGNSSLLL
NIPPSPEGLLAEPDVQSLKGLGRRVSEFREALASVRCEARTSSASAAAAH
LVDGNRDTFWRPDADDAAPAITLTLPQPTTINAIVIEEAIEHGQRIEHLR
VTGALPDGTERVLGQAGTVGYRRILRFDDVEVSSVTLHVDGSRLAPMISR
AAAVRI
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain3uet Chain D Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uet 1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H36 W47 H85 H86 W290
Binding residue
(residue number reindexed from 1)		H28 W39 H77 H78 W268
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.111: 1,3-alpha-L-fucosidase.
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006004 fucose metabolic process
GO:0016139 glycoside catabolic process
Cellular Component
GO:0005764 lysosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uet, PDBe:3uet, PDBj:3uet
PDBsum3uet
PubMed22451675
UniProtB7GNN8

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