Structure of PDB 3a0k Chain E Binding Site BS02

Receptor Information
>3a0k Chain E (length=237) Species: 202239 (Cymbosema roseum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDSYPNTDIGDPSYPHIGIDIKSIRSKSTARWNMQTGKVGTA
HISYNSVAKRLTAVVSYSGSSSTTVSYDVDLTNVLPEWVRVGLSATTGLY
KETNTILSWSFTSKLKTNSIADANALHFSFNQFTQNPKDLILQGDATTDS
DGNLELTKVSSSGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIK
SPDSEPADGITFFIANTDTSIPSGSSGRLLGLFPDAN
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 chain3a0k Chain E Residue 239 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a0k Structural basis for both pro- and anti-inflammatory response induced by mannose-specific legume lectin from Cymbosema roseum
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D10 Y12 N14 D19
Binding residue
(residue number reindexed from 1)		D10 Y12 N14 D19
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:3a0k, PDBe:3a0k, PDBj:3a0k
PDBsum3a0k
PubMed21277932
UniProtD5MNX4

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