Structure of PDB 2du1 Chain A Binding Site BS02

Receptor Information
>2du1 Chain A (length=237) Species: 3891 (Psophocarpus tetragonolobus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTISFNFNQFHQNEEQLKLQRDARISSNSVLELTKVVNGVPTWNSTGRAL
YAKPVQVWDSTTGNVASFETRFSFSIRQPFPRPHPADGLVFFIAPPNTQT
GEGGGYFGIYNPLSPYPFVAVEFDTFRNTWDPQIPHIGIDVNSVISTKTV
PFTLDNGGIANVVIKYDASTKILHVVLVFPSLGTIYTIADIVDLKQVLPE
SVNVGFSAATGDPSGKQRNATETHDILSWSFSASLPG
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 chain2du1 Chain A Residue 1303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2du1 Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D124 F126 N128 D131
Binding residue
(residue number reindexed from 1)		D124 F126 N128 D131
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:2du1, PDBe:2du1, PDBj:2du1
PDBsum2du1
PubMed17057334
UniProtO24313|LEC1_PSOTE Basic agglutinin (Gene Name=WBAI)

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