Structure of PDB 4q56 Chain A Binding Site BS01

Receptor Information
>4q56 Chain A (length=101) Species: 6535 (Cornu aspersum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRVQSGKIDCGNDVSWAKVPSDDPGRDNTRELAKNITFASPYCRPPVVLL
SITQLDVEQSQNLRVIARLYSVSPTGFKASCYTWHNTKVYSMSISWISIE
N
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 chain4q56 Chain B Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q56 Structural studies of Helix aspersa agglutinin complexed with GalNAc: A lectin that serves as a diagnostic tool.
Resolution1.38 Å
Binding residue
(original residue number in PDB)		V19 E31 K78
Binding residue
(residue number reindexed from 1)		V19 E31 K78
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0030247 polysaccharide binding
GO:0046871 N-acetylgalactosamine binding
GO:0046872 metal ion binding
GO:0070492 oligosaccharide binding
Biological Process
GO:0007155 cell adhesion
GO:0098609 cell-cell adhesion
Cellular Component
GO:0009986 cell surface
GO:0045335 phagocytic vesicle
GO:0098636 protein complex involved in cell adhesion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4q56, PDBe:4q56, PDBj:4q56
PDBsum4q56
PubMed26416237
UniProtA0A0R4I963

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