Structure of PDB 8cxd Chain B Binding Site BS01
Receptor Information
>8cxd Chain B (length=188) Species:
83333
(Escherichia coli K-12) [
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AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKL
PEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGV
PAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Ligand information
Ligand ID
010
InChI
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
WVDDGKGOMKODPV-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
CACTVS 3.370
OCc1ccccc1
OpenEye OEToolkits 1.7.0
c1ccc(cc1)CO
Formula
C7 H8 O
Name
phenylmethanol
ChEMBL
CHEMBL720
DrugBank
DB06770
ZINC
ZINC000000895302
PDB chain
8cxd Chain A Residue 603 [
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Receptor-Ligand Complex Structure
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PDB
8cxd
Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
Y34 K98
Binding residue
(residue number reindexed from 1)
Y34 K98
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003756
protein disulfide isomerase activity
GO:0005515
protein binding
GO:0015035
protein-disulfide reductase activity
GO:0015036
disulfide oxidoreductase activity
GO:0016491
oxidoreductase activity
Biological Process
GO:0071236
cellular response to antibiotic
Cellular Component
GO:0030288
outer membrane-bounded periplasmic space
GO:0042597
periplasmic space
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8cxd
,
PDBe:8cxd
,
PDBj:8cxd
PDBsum
8cxd
PubMed
36760747
UniProt
P0AEG4
|DSBA_ECOLI Thiol:disulfide interchange protein DsbA (Gene Name=dsbA)
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