Structure of PDB 8s7f Chain A Binding Site BS02

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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8s7f Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8s7f Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D41 N79 H114 H195
Binding residue
(residue number reindexed from 1)		D40 N78 H113 H184
Annotation score1
External links
PDB RCSB:8s7f, PDBe:8s7f, PDBj:8s7f
PDBsum8s7f
PubMed39236497
UniProtQ8FK47|LPXH_ECOL6 UDP-2,3-diacylglucosamine hydrolase (Gene Name=lpxH)

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