Structure of PDB 2je7 Chain A Binding Site BS02

Receptor Information

>2je7 Chain A (length=237) Species: 99571 (Dioclea guianensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADTIVAVELDSYPNTDIGDPSYPHIGIDIKSIRSKSTARWNMQTGKVGTA
HISYNSVAKRLSAVVSYSGTSSTTVSYDVDLNNVLPEWVRVGLSATTGLY
KETNTILSWSFTSKLKTNSIADANSLHFSFHQFSQNPKDLILQSDATTDS
DGNLQLTRVSSDGSPQGSSVGRALFYAPVHIWEKSAVVASFDATFTFLIK
SPDRDPADGITFFIANTDTSIPSGSGGRLLGLFPDAN

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

2je7 Chain A Residue 1241 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2je7 Insights Into the Structural Basis of the Ph- Dependent Dimer-Tetramer Equilibrium Through Crystallographic Analysis of Recombinant Diocleinae Lectins.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	D12 Y14 N16 D21
Binding residue (residue number reindexed from 1)	D10 Y12 N14 D19
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005537	D-mannose binding
GO:0030246	carbohydrate binding
GO:0046872	metal ion binding
GO:0090729	toxin activity

	Biological Process
GO:0008150	biological_process
GO:0035821	modulation of process of another organism

	Cellular Component
GO:0005575	cellular_component

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Cellular Component

External links

PDB	RCSB:2je7, PDBe:2je7, PDBj:2je7
PDBsum	2je7
PubMed	17937659
UniProt	P81637\|LECA_DIOGU Lectin alpha chain

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