Structure of PDB 6pvy Chain B Binding Site BS01

Receptor Information

>6pvy Chain B (length=188) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKL
PEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGV
PAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK

Ligand information

Ligand ID

InChI

InChI=1S/Cu/q+2

InChIKey

JPVYNHNXODAKFH-UHFFFAOYSA-N

SMILES

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

Formula

Name

COPPER (II) ION

PDB chain

6pvy Chain B Residue 202 [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	6pvy The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Resolution	1.74 Å
Binding residue (original residue number in PDB)	A1 E4
Binding residue (residue number reindexed from 1)	A1 E4
Annotation score	3

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0003756	protein disulfide isomerase activity
GO:0005515	protein binding
GO:0015035	protein-disulfide reductase activity
GO:0015036	disulfide oxidoreductase activity
GO:0016491	oxidoreductase activity

	Biological Process
GO:0071236	cellular response to antibiotic

	Cellular Component
GO:0030288	outer membrane-bounded periplasmic space
GO:0042597	periplasmic space

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Cellular Component

External links

PDB	RCSB:6pvy, PDBe:6pvy, PDBj:6pvy
PDBsum	6pvy
PubMed	31635355
UniProt	P0AEG4\|DSBA_ECOLI Thiol:disulfide interchange protein DsbA (Gene Name=dsbA)

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