Structure of PDB 7e43 Chain A Binding Site BS01

Receptor Information
>7e43 Chain A (length=322) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DERVIYLAGGSFWGLEAYMERIYGVIDASSGYANGKTSSTNYEKLHESDH
AESVKVIYDPKKISLDKLLRYYFKVVDPVSVNKQGNDVGRQYRTGIYYVN
SADKEVIDHALKALQKEVGKIAIEVEPLKNYVRAEEYHQDYLKKHPSGYC
HIDLKKADEVIVDDDKYTKPSDEVLKKKLTKLQYEVTQNKHTEKPFENEY
YNKEEEGIYVDITTGEPLFSSADKYDSGCGWPSFSKPINKDVVKYEDDES
NRKRIEVLSRIGKAHLGHVFNDGPKELGGLRYSINSAALRFIPLKDMEKE
GYGEFIPYIKKGELKKYINDKK
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain7e43 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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PDB7e43 Structural Insights into a Bifunctional Peptide Methionine Sulfoxide Reductase MsrA/B Fusion Protein from Helicobacter pylori .
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H303 S318
Binding residue
(residue number reindexed from 1)		H268 S283
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S44 Y75 E85 D120 Y125 C184 E193
Catalytic site (residue number reindexed from 1) S11 Y42 E52 D87 Y92 C150 E159
Enzyme Commision number 1.8.4.11: peptide-methionine (S)-S-oxide reductase.
1.8.4.12: peptide-methionine (R)-S-oxide reductase.
Gene Ontology
Molecular Function
GO:0008113 peptide-methionine (S)-S-oxide reductase activity
GO:0016491 oxidoreductase activity
GO:0016671 oxidoreductase activity, acting on a sulfur group of donors, disulfide as acceptor
GO:0033743 peptide-methionine (R)-S-oxide reductase activity
GO:0033744 L-methionine:thioredoxin-disulfide S-oxidoreductase activity
Biological Process
GO:0006979 response to oxidative stress
GO:0030091 protein repair
GO:0036211 protein modification process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7e43, PDBe:7e43, PDBj:7e43
PDBsum7e43
PubMed33807684
UniProtO25011|MSRAB_HELPY Peptide methionine sulfoxide reductase MsrA/MsrB (Gene Name=msrAB)

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