Structure of PDB 6rd3 Chain F Binding Site BS02

Receptor Information

>6rd3 Chain F (length=345) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GAEIYNKDGNKLDLYGKIDGLHYFSDDKSVDGDQTYMRVGVKGETQINDQ
LTGYGQWEYNVQANNTESSSDQAWTRLAFAGLKFGDAGSFDYGRNYGVVY
DVTSWTDVLPEFGGDTYGSDNFLQSRANGVATYRNSDFFGLVDGLNFALQ
YQGKNGSVSGEGATNNGRGWSKQNGDGFGTSLTYDIWDGISAGFAYSHSK
RTDEQNSVPALGRGDNAETYTGGLKYDANNIYLASQYTQTYNATRAGSLG
FANKAQNFEVVAQYQFDFGLRPSVAYLQSKGKDLERGYGDQDILKYVDVG
ATYYFNKNMSTYVDYKINLLDDNSFTRNAGISTDDVVALGLVYQF

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

6rd3 Chain F Residue 404 [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	6rd3 OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Resolution	1.98 Å
Binding residue (original residue number in PDB)	R212 N241 N252
Binding residue (residue number reindexed from 1)	R213 N242 N253
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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Cellular Component

External links

PDB	RCSB:6rd3, PDBe:6rd3, PDBj:6rd3
PDBsum	6rd3
PubMed	31477712
UniProt	D6QLY0

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