Structure of PDB 3mo4 Chain A Binding Site BS01

Receptor Information
>3mo4 Chain A (length=455) 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]
AGINLNYLANVRPSSRQLAWQRMEMYAFLHFGMNTMTDREWGLGHEDPAL
FNPRNVDVDQWMDALVAGGMAGVILTCKHHDGFCLWPSRLTRHTVASSPW
REGKGDLVREVSESARRHGLKFGVYLSPWDRTEESYGKGKAYDDFYVGQL
TELLTQYGPIFSVWLDGANGEGKNGKTQYYDWDRYYNVIRSLQPDAVISV
CGPDVRWAGNEAGHVRDNEWSVVPRRLRSATVSSQDDDLGSREAVAGYGD
NVCWYPAEVDTSIRPGWFYHQSEDDKVMSADQLFDLWLSAVGGNSSLLLN
IPPSPEGLLAEPDVQSLKGLGRRVSEFREALASVRCEARTSSASAAAAHL
VDGNRDTFWRPDADDAAPAITLTLPQPTTINAIVIEEAIEHGQRIEHLRV
TGALPDGTERVLGQAGTVGYRRILRFDDVEVSSVTLHVDGSRLAPMISRA
AAVRI
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain3mo4 Chain A Residue 479 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mo4 Bifidobacterium longum subsp. infantis ATCC 15697 alpha-fucosidases are active on fucosylated human milk oligosaccharides.
Resolution1.901 Å
Binding residue
(original residue number in PDB)		H36 H85 D172
Binding residue
(residue number reindexed from 1)		H30 H79 D166
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:3mo4, PDBe:3mo4, PDBj:3mo4
PDBsum3mo4
PubMed22138995
UniProtB7GNN8

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