Structure of PDB 4rha Chain A Binding Site BS01

Receptor Information
>4rha Chain A (length=131) Species: 588858 (Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQTKHFTLKSDVLFNFNKSTLKPEGQQALDQLYSQLSNLDPGSVVVLGF
TDRIGSDAYNQGLSEKRAQSVVDYLISKGIPSDKISARGMGESNPVTGNT
CDNVKPRAALIDCLAPDRRVEIEVKGVKDVV
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4rha Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rha Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F208 N209 R260 R311
Binding residue
(residue number reindexed from 1)		F17 N18 R67 R118
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0019867 outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rha, PDBe:4rha, PDBj:4rha
PDBsum4rha
PubMed28580643
UniProtA0A0H2UKZ3

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