Structure of PDB 8s7f Chain A Binding Site BS01

Receptor Information

>8s7f Chain A (length=231) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATLFIADLHLCAEEPAITAGFLRFLAGEARKADALYILGDLFEAWIGDDD
PNPLHHQMAAAIKAVSDSGVPCYFIHGNRDFLLGKRFARESGMTLLPEEK
VLELYGRRVLIMHGDTLCTDDAGYQAFRAKVHKPWLQTLFLALPLFVRKR
IAARMRANAIMDVNQNAVVSAMEKHQVQWLIHGHTHRPAVHELIANQQTA
FRVVLGAWHTEGSMVKVTADDVELIHFPFHH

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

8s7f Chain A Residue 301 [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	8s7f Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	D8 H10 D41 H197
Binding residue (residue number reindexed from 1)	D7 H9 D40 H186
Annotation score	1

External links

PDB	RCSB:8s7f, PDBe:8s7f, PDBj:8s7f
PDBsum	8s7f
PubMed	39236497
UniProt	Q8FK47\|LPXH_ECOL6 UDP-2,3-diacylglucosamine hydrolase (Gene Name=lpxH)

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