Structure of PDB 4wet Chain A

Receptor sequence
>4wetA (length=187) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence]
QYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLP
EGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQT
IRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVP
AMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
3D structure
PDB4wet Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
ChainA
Resolution1.63 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 WEF A H32 L40 Q164 T168 M171 F174 H31 L39 Q163 T167 M170 F173 MOAD: Kd=444uM
PDBbind-CN: -logKd/Ki=3.35,Kd=444uM
Gene Ontology
Molecular Function
GO:0015036 disulfide oxidoreductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4wet, PDBe:4wet, PDBj:4wet
PDBsum4wet
PubMed25556635
UniProtA0A0H2UL03

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