Structure of PDB 4zij Chain B Binding Site BS01

Receptor Information

>4zij Chain B (length=188) Species: 83333 (Escherichia coli K-12)

AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKL
PEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGV
PAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK

Ligand information

• Ligand ID: SFQ
• InChI: InChI=1S/C13H10INO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
• InChIKey: PLJIQKJMJAHNRG-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: Ic1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)O
  OpenEye OEToolkits 1.7.6: c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I
  CACTVS 3.385: OC(=O)c1ccccc1N[S](=O)(=O)c2ccc(I)cc2
• Formula: C13 H10 I N O4 S
• Name: 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid
• ZINC: ZINC000004757062
• PDB chain: 4zij Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zij Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): M64 G65
• Binding residue (residue number reindexed from 1): M64 G65
• Annotation score: 1

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

External links

• PDB: RCSB:4zij, PDBe:4zij, PDBj:4zij
• PDBsum: 4zij
• PubMed: 27778134
• UniProt: P0AEG4|DSBA_ECOLI Thiol:disulfide interchange protein DsbA (Gene Name=dsbA)