Structure of PDB 4a34 Chain E Binding Site BS01

Receptor Information
>4a34 Chain E (length=139) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKHIPKNISPDLLKTLMEMGHGDEIVLADANYPSASCANKLIRCDGVNIP
ELLDSILYLMPLDSYVDSSIQFMNVVSGDDIPKIWGTYRQMIEGHGTDLK
TITYLRREDFYERSKKAYAIVATGETSLYANIILKKGVV
Ligand information
Ligand IDFUL
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-KGJVWPDLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
CACTVS 3.341C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namebeta-L-fucopyranose;
beta-L-fucose;
6-deoxy-beta-L-galactopyranose;
L-fucose;
fucose;
6-DEOXY-BETA-L-GALACTOSE
ChEMBLCHEMBL1230861
DrugBankDB03283
ZINCZINC000001532813
PDB chain4a34 Chain E Residue 1141 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a34 Structure of the Fucose Mutarotase from Streptococcus Pneumoniae in Complex with L-Fucose
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D30 Y33 Y130
Binding residue
(residue number reindexed from 1)		D29 Y32 Y129
Annotation score2
Enzymatic activity
Enzyme Commision number 5.1.3.29: L-fucose mutarotase.
5.4.99.62: D-ribose pyranase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0042806 fucose binding
GO:0048029 monosaccharide binding
GO:0062193 D-ribose pyranase activity
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0006004 fucose metabolic process
GO:0036065 fucosylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4a34, PDBe:4a34, PDBj:4a34
PDBsum4a34
PubMed22139157
UniProtA0A0H2ZNZ5

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