Structure of PDB 7erp Chain D Binding Site BS01

Receptor Information
>7erp Chain D (length=182) Species: 28141 (Cronobacter sakazakii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRVYASSTIGNYILPEIIARYRRPDLPLEMSVGNSLDVVQAVCDFRVDIG
LIEGPCHMAEIVAQPWLEDELVVFASPAEGETLERAAMPWILREKGSGTR
EIVDYLLLSMELGNSEAIKHAVRHGLGVSCLSRRVIAEQLETGSLVEVKV
PLPPLVRTLYRIHHRQKHLSSALARFLRYCEL
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain7erp Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7erp Crystal structures of YeiE from Cronobacter sakazakii and the role of sulfite tolerance in gram-negative bacteria.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		S97 N126 S127 E145 R191 S195 T197
Binding residue
(residue number reindexed from 1)		S7 N34 S35 E53 R93 S97 T99
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links