Structure of PDB 4u2a Chain A Binding Site BS02

Receptor Information
>4u2a Chain A (length=229) Species: 77050 (Vatairea macrocarpa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEVVSFSFTKFNPNPKDIILQGDALVTSKGKLQLTKVKDGKPVDHSLGRA
LYAAPIHIWDDSTDRVASFATSFSFVVEAPDESKTADGIAFFLAPPDTQP
QKDGGFLGLFNDIQTVAVEFDTFSNTWDPSARHIGINVNSIESMKYVKWG
WENGKVANVYISYEASTKTLTASLTYPSNATSYIVSANVDLKSALPEWVR
VGFSATSGLSRDHVETHDVLDWSFTSTLQ
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4u2a Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4u2a High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		E123 D125 D132 H137
Binding residue
(residue number reindexed from 1)		E119 D121 D128 H133
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:4u2a, PDBe:4u2a, PDBj:4u2a
PDBsum4u2a
PubMed25499445
UniProtP81371|LECS_VATMA Seed lectin

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