Structure of PDB 4wn0 Chain A Binding Site BS01

Receptor Information
>4wn0 Chain A (length=277) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYRSCNEIKSSDSRAPDGIYTLATEDGESYQTFCDMTTNGGGWTLVASVH
ENNMFGKCTVGDRWSTQQGNMLQNPEGDGNWANYATFGLPEGATSDDYKN
PGYYDIEAKNLALWHVPNKTPMVMWRNSSILRYRTQNGFLTEEGGNLFEL
YKKYPVKYDIGKCLADNGPAVPVVYDLGSAEKTASLYSPNGRSEFTPGFV
QFRAVNSERATLALCAGVKVKGCNVEHHCIGGGGYIPEGSPRQCGDFAAL
DWDGYGTNLGWSASKQIIEAAVMLFYR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4wn0 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wn0 Structures of Xenopus Embryonic Epidermal Lectin Reveal a Conserved Mechanism of Microbial Glycan Recognition.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E116 N118 G121 D127
Binding residue
(residue number reindexed from 1)		E51 N53 G56 D62
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
GO:0070492 oligosaccharide binding
Biological Process
GO:0034214 protein hexamerization
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0030133 transport vesicle
GO:0030141 secretory granule
GO:0031410 cytoplasmic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4wn0, PDBe:4wn0, PDBj:4wn0
PDBsum4wn0
PubMed26755729
UniProtQ5PPM0|ITLN1_XENLA Intelectin-1 (Gene Name=itln1)

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