Structure of PDB 1qr3 Chain E Binding Site BS02

Receptor Information

>1qr3 Chain E (length=240) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRE
LTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLA
QSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYL
PTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQY
AVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN

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

1qr3 Chain E Residue 400 [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	1qr3 Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 A resolution.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	E70 L73
Binding residue (residue number reindexed from 1)	E59 L62
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.4.21.36: pancreatic elastase.

Gene Ontology

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0005515	protein binding
GO:0008236	serine-type peptidase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006508	proteolysis

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space

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Cellular Component

External links

PDB	RCSB:1qr3, PDBe:1qr3, PDBj:1qr3
PDBsum	1qr3
PubMed	10738204
UniProt	P00772\|CELA1_PIG Chymotrypsin-like elastase family member 1 (Gene Name=CELA1)

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