Structure of PDB 5o79 Chain B Binding Site BS01

Receptor Information

>5o79 Chain B (length=344) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AEIYNKDGNKLDLYGKIDGLHYFSDDKSVDGDQTYMRVGVKGETQINDQL
TGYGQWEYNVQANNTESSSDQAWTRLAFAGLKFGDAGSFDYGRNYGVVYD
VTSWTDVLPEFGGDTYGSDNFLQSRANGVATYRNSDFFGLVDGLNFALQY
QGKNGSVSGEGATNNGRGWSKQNGDGFGTSLTYDIWDGISAGFAYSHSKR
TDEQNSVPALGRGDNAETYTGGLKYDANNIYLASRYTQTYNATRAGSLGF
ANKAQNFEVVAQYQFDFGLRPSVAYLQSKGKDLERGYGDQDILKYVDVGA
TYYFNKNMSTYVDYKINLLDDNSFTRNAGISTDDVVALGLVYQF

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

5o79 Chain B Residue 407 [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	5o79 Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	R212 N241 N252
Binding residue (residue number reindexed from 1)	R212 N241 N252
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0015288	porin activity
GO:0046872	metal ion binding

	Biological Process
GO:0006811	monoatomic ion transport
GO:0034220	monoatomic ion transmembrane transport

	Cellular Component
GO:0009279	cell outer membrane
GO:0016020	membrane
GO:0046930	pore complex

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Biological Process

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Cellular Component

External links

PDB	RCSB:5o79, PDBe:5o79, PDBj:5o79
PDBsum	5o79
PubMed	29962203
UniProt	D6QLY0

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