Structure of PDB 4wmy Chain A Binding Site BS04

Receptor Information
>4wmy Chain A (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSSSPSLPRSCKEIKDECPSAFDGLYFLRTENGVIYQTFCDMTSGGGGWT
LVASVHENDMRGKCTVGDRWSSQQGSKAVYPEGDGNWANYNTFGSAEAAT
SDDYKNPGYYDIQAKDLGIWHVPNKSPMQHWRNSSLLRYRTDTGFLQTLG
HNLFGIYQKYPVKYGEGKCWTDNGPVIPVVYDFGDAQKTASYYSPYGQRE
FTAGFVQFRVFNNERAANALCAGMRVTGCNTEHHCIGGGGYFPEASPQQC
GDFSGFDWSGYGTHVGYSSSREITEAAVLLFYR
Ligand information
Ligand ID3S6
InChIInChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1
InChIKeyZOIPKVBHIUBYNB-GOFVFXDOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O
OpenEye OEToolkits 1.9.2C=CCOC1C(C(C(O1)C(CO)O)O)O
ACDLabs 12.01O(C/C=C)C1OC(C(O)C1O)C(O)CO
CACTVS 3.385OC[C@@H](O)[C@@H]1O[C@@H](OCC=C)[C@H](O)[C@H]1O
FormulaC9 H16 O6
Nameprop-2-en-1-yl beta-D-galactofuranoside;
prop-2-en-1-yl beta-D-galactoside;
prop-2-en-1-yl D-galactoside;
prop-2-en-1-yl galactoside
ChEMBL
DrugBank
ZINCZINC000263621350
PDB chain4wmy Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wmy Recognition of microbial glycans by human intelectin-1.
Resolution1.601 Å
Binding residue
(original residue number in PDB)		N260 H263 E274 Y297
Binding residue
(residue number reindexed from 1)		N230 H233 E244 Y267
Annotation score1
Binding affinityMOAD: Kd=85nM
PDBbind-CN: -logKd/Ki=7.07,Kd=85nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0070492 oligosaccharide binding
Biological Process
GO:0001934 positive regulation of protein phosphorylation
GO:0009624 response to nematode
GO:0046326 positive regulation of D-glucose import
GO:0070207 protein homotrimerization
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0031526 brush border membrane
GO:0043235 receptor complex
GO:0045121 membrane raft
GO:0070062 extracellular exosome
GO:0098552 side of membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4wmy, PDBe:4wmy, PDBj:4wmy
PDBsum4wmy
PubMed26148048
UniProtQ8WWA0|ITLN1_HUMAN Intelectin-1 (Gene Name=ITLN1)

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