Structure of PDB 4wey Chain A

Receptor sequence
>4weyA (length=188) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence]
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKL
PEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGV
PAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
3D structure
PDB4wey Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
ChainA
Resolution1.55 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.8.4.2: protein-disulfide reductase (glutathione).
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 EG6 A H32 F36 T168 M171 F174 H32 F36 T168 M171 F174 PDBbind-CN: -logKd/Ki=3.50,Kd=318uM
Gene Ontology
Molecular Function
GO:0015036 disulfide oxidoreductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function

View graph for
Cellular Component
External links
PDB RCSB:4wey, PDBe:4wey, PDBj:4wey
PDBsum4wey
PubMed25556635
UniProtA0A0H2UL03

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