Structure of PDB 4a34 Chain S Binding Site BS02

Receptor Information
>4a34 Chain S (length=140) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKHIPKNISPDLLKTLMEMGHGDEIVLADANYPSASCANKLIRCDGVNIP
ELLDSILYLMPLDSYVDSSIQFMNVVSGDDIPKIWGTYRQMIEGHGTDLK
TITYLRREDFYERSKKAYAIVATGETSLYANIILKKGVVV
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 S Residue 1142 [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 R108 L129 Y130 N132
Binding residue
(residue number reindexed from 1)		D29 Y32 R107 L128 Y129 N131
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

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

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