Structure of PDB 1fny Chain A Binding Site BS01

Receptor Information
>1fny Chain A (length=234) Species: 35938 (Robinia pseudoacacia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGSLSFSFPKFAPNQPYLINQGDALVTSTGVLQLTNVVNGVPSSKSLGRA
LYAAPFQIWDSTTGNVASFVTSFTFIIQAPNPATTADGLAFFLAPVDTQP
LDLGGMLGIFKFNKSNQIVAVEFDTFSNGDWDPKGRHLGINVNSIESIKT
VPWNWTNGEVANVFISYEASTKSLTASLVYPSLETSFIIDAIVDVKIVLP
EWVRFGFSATTGIDKGYVQTNDVLSWSFESNLPG
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 chain1fny Chain A Residue 500 [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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PDB1fny Structure of a legume lectin from the bark of Robinia pseudoacacia and its complex with N-acetylgalactosamine.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		D127 F129 N131 D135
Binding residue
(residue number reindexed from 1)		D124 F126 N128 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:1fny, PDBe:1fny, PDBj:1fny
PDBsum1fny
PubMed11484224
UniProtQ41159|LCB1_ROBPS Bark agglutinin I polypeptide A

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