Structure of PDB 2wcv Chain I Binding Site BS01

Receptor Information
>2wcv Chain I (length=140) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKTISPLISPELLKVLAEMGHGDEIIFSDAHFPAHSMGPQVIRADGLLV
SDLLQAIIPLFELDSYAPPLVMMAAVEGDTLDPEVERRYRNALSLQAPCP
DIIRINRFAFYERAQKAFAIVITGERAKYGNILLKKGVTP
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 chain2wcv Chain I Residue 1141 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wcv Crystal Structures and Enzyme Mechanism of a Dual Fucose Mutarotase/Ribose Pyranase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D30 F33 M73 R107 Y111 K128 Y129 N131
Binding residue
(residue number reindexed from 1)		D30 F33 M73 R107 Y111 K128 Y129 N131
Annotation score5
Binding affinityMOAD: Kd=1.7mM
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:0016854 racemase and epimerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0036373 L-fucose mutarotase activity
GO:0042802 identical protein binding
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
GO:0042354 L-fucose metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wcv, PDBe:2wcv, PDBj:2wcv
PDBsum2wcv
PubMed19524593
UniProtP0AEN8|FUCM_ECOLI L-fucose mutarotase (Gene Name=fucU)

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