Structure of PDB 4xxa Chain A Binding Site BS01

Receptor Information
>4xxa Chain A (length=234) Species: 77050 (Vatairea macrocarpa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEVVSFSFTKFNPNPKDIILQGDALVTSKGKLQLTKVKDGKPVDHSLGRA
LYAAPIHIWDDSTDRVASFATSFSFVVEAPDESKTADGIAFFLAPPDTQP
QKDGGFLGLFNDNKSIQTVAVEFDTFSNTWDPSARHIGINVNSIESMKYV
KWGWENGKVANVYISYEASTKTLTASLTYPSNATSYIVSANVDLKSALPE
WVRVGFSATSGLSRDHVETHDVLDWSFTSTLQAP
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 chain4xxa Chain A Residue 301 [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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PDB4xxa Crystal structure of a recombinant Vatairea macrocarpa seed lectin
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D126 F128 N130 D133
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
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4xxa, PDBe:4xxa, PDBj:4xxa
PDBsum4xxa
PubMed
UniProtP81371|LECS_VATMA Seed lectin

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