Structure of PDB 2nr6 Chain A Binding Site BS01

Receptor Information

>2nr6 Chain A (length=330) Species: 6973 (Blattella germanica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GASIVPLYKLVHVFINTQYAGITKIGNQNFLTVFDSTSCNVVVASQECVG
GACVCPNLQKYEKLKPKYISDGNVQVKFFDTGSAVGRGIEDSLTISQLTT
SQQDIVLADELSQEVCILSADVVVGIAAPGCPNALKGKTVLENFVEENLI
APVFSIHHARFQDGEHFGEIIFGGSDWKYVDGEFTYVPLVGDDSWKFRLD
GVKIGDTTVAPAGTQAIIDTSKAIIVGPKAYVNPINEAIGCVVEKTTTRR
ICKLDCSKIPSLPDVTFVINGRNFNISSQYYIQQNGNLCYSGFQPCGHSD
HFFIGDFFVDHYYSEFNWENKTMGFGRSVE

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

2nr6 Chain A Residue 602 [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	2nr6 Crystal structure of a dimerized cockroach allergen Bla g 2 complexed with a monoclonal antibody.
Resolution	2.81 Å
Binding residue (original residue number in PDB)	H155 H161 D303 D307
Binding residue (residue number reindexed from 1)	H158 H166 D306 D310
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	D32 S35 N37 V39 F75 D215 K218
Catalytic site (residue number reindexed from 1)	D35 S38 N40 V42 F78 D219 K222
Enzyme Commision number	3.4.23.-

Gene Ontology

	Molecular Function
GO:0004190	aspartic-type endopeptidase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:2nr6, PDBe:2nr6, PDBj:2nr6
PDBsum	2nr6
PubMed	18519566
UniProt	P54958\|ASP2_BLAGE Aspartic protease Bla g 2

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