Structure of PDB 1fay Chain E Binding Site BS03

Receptor Information
>1fay Chain E (length=236) Species: 3891 (Psophocarpus tetragonolobus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETQSFNFDHFEENSKELNLQRQASIKSNGVLELTKLTKNGVPVWKSTGRA
LYAEPIKIWDSTTGNVASFETRFSFNITQPYAYPEPADGLTFFMVPPNSP
QGEDGGNLGVFKPPEGDNAFAVEFDTFQNTWDPQVPHIGIDVNSIVSSKT
LHFQLENGGVANVVIKYDSPTKILNVVLAFHSVGTVYTLSNIVDLKQEFP
NSEWVNVGLSATTGYQKNAVETHEIISWSFTSSLQE
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 chain1fay Chain E Residue 303 [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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PDB1fay Carbohydrate specificity and salt-bridge mediated conformational change in acidic winged bean agglutinin.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D125 F127 N129 D132
Binding residue
(residue number reindexed from 1)		D125 F127 N129 D132
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1fay, PDBe:1fay, PDBj:1fay
PDBsum1fay
PubMed11183779
UniProtQ9SM56

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