Structure of PDB 4wn0 Chain A Binding Site BS05

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 IDG3P
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyAWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(COP(=O)(O)O)O)O
CACTVS 3.385OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-3-PHOSPHATE
ChEMBLCHEMBL1232920
DrugBankDB02515
ZINCZINC000003830896
PDB chain4wn0 Chain A Residue 409 [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)		N289 H292 E303 W326
Binding residue
(residue number reindexed from 1)		N224 H227 E238 W261
Annotation score4
Binding affinityMOAD: ic50=0.6mM
PDBbind-CN: -logKd/Ki=3.22,IC50=0.6mM
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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