Structure of PDB 8czn Chain B Binding Site BS01

Receptor Information
>8czn Chain B (length=188) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKL
PEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGV
PAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Ligand information
Ligand IDPKN
InChIInChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChIKeyDOYOPBSXEIZLRE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c[nH]cc1C(=O)O
CACTVS 3.385OC(=O)c1c[nH]cc1
ACDLabs 12.01O=C(O)c1cc[NH]c1
FormulaC5 H5 N O2
Name1H-pyrrole-3-carboxylic acid
ChEMBLCHEMBL79155
DrugBank
ZINCZINC000002570110
PDB chain8czn Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8czn Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F29 G65
Binding residue
(residue number reindexed from 1)		F29 G65
Annotation score1
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:8czn, PDBe:8czn, PDBj:8czn
PDBsum8czn
PubMed36760747
UniProtP0AEG4|DSBA_ECOLI Thiol:disulfide interchange protein DsbA (Gene Name=dsbA)

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