Structure of PDB 3wcs Chain A Binding Site BS03

Receptor Information
>3wcs Chain A (length=238) Species: 3885 (Phaseolus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASQTSFSFQRFNETNLILQRDATVSSKGQLRLTNVNDNGEPTLSSLGRAF
YSAPIQIWDNTTGAVASFATSFTFNIDVPNNSGPADGLAFVLLPVGSQPK
DKGGLLGLFNNYKYDSNAHTVAVEFDTLYNVHWDPKPRHIGIDVNSIKSI
KTTTWDFVKGENAEVLITYDSSTKLLVASLVYPSLKTSFIVSDTVDLKSV
LPEWVIVGFTATTGITKGNVETNDILSWSFASKLSDGT
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 chain3wcs Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wcs Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D147 L149 N151 D155
Binding residue
(residue number reindexed from 1)		D126 L128 N130 D134
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0090729 toxin activity
Biological Process
GO:0006952 defense response
GO:0035821 modulation of process of another organism

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Molecular Function
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Biological Process
External links
PDB RCSB:3wcs, PDBe:3wcs, PDBj:3wcs
PDBsum3wcs
PubMed24436051
UniProtP05088|PHAE_PHAVU Erythroagglutinating phytohemagglutinin (Gene Name=DLEC1)

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