Structure of PDB 4xtp Chain A Binding Site BS01

Receptor Information
>4xtp 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
QKDGGFLGLFNDSNKSIQTVAVEFDTFSNTWDPSARHIGINVNSIESMKY
VKWGWENGKVANVYISYEASTKTLTASLTYPSNATSYIVSANVDLKSALP
EWVRVGFSATSGLSRDHVETHDVLDWSFTSTLQA
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 chain4xtp 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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PDB4xtp Crystal structure of a recombinant Vatairea macrocarpa seed lectin
Resolution1.97 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:4xtp, PDBe:4xtp, PDBj:4xtp
PDBsum4xtp
PubMed
UniProtP81371|LECS_VATMA Seed lectin

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