Structure of PDB 9eng Chain A Binding Site BS01

Receptor Information
>9eng Chain A (length=227) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDD
PNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEE
RLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHR
IAARMREIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWR
VVLGAWHSEGSMVKVTPDDVELIHFPF
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 chain9eng Chain A Residue 301 [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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PDB9eng Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D8 H10 D41 H197
Binding residue
(residue number reindexed from 1)		D7 H9 D40 H184
Annotation score1
External links
PDB RCSB:9eng, PDBe:9eng, PDBj:9eng
PDBsum9eng
PubMed39236497
UniProtA6T5R0|LPXH_KLEP7 UDP-2,3-diacylglucosamine hydrolase (Gene Name=lpxH)

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