Reaction Details Report a problem with these data
Target
Thiol:disulfide interchange protein [27-205]
Ligand
BDBM231639
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry (ITC)
pH
7.4±0
Temperature
298.15±0 K
Kd
146±37 nM
Citation
 Premkumar, L; Kurth, F; Duprez, W; Grøftehauge, MK; King, GJ; Halili, MA; Heras, B; Martin, JL Structure of the Acinetobacter baumannii dithiol oxidase DsbA bound to elongation factor EF-Tu reveals a novel protein interaction site. J Biol Chem 289:19869-80 (2014) [PubMed]  Article 
Target
Name:
Thiol:disulfide interchange protein [27-205]
Synonyms:
F0KIP0_ACICP | Thiol:disulfide interchange protein (DsbA) | dsbA
Type:
Protein
Mol. Mass.:
20389.27
Organism:
Acinetobacter baumannii (AYE strain)
Description:
A. baumannii DsbA lacking the predicted periplasmic leader sequence (27-205 aa)
Residue:
179
Sequence:
AGKDYTVIANPGKVEVPGKIEVREFFWYGCPHCFKLEPHMQTWLKQIPKDVRFVRTPAAMNKMWEQGARTYYTSEALGVRKRTHLPLFHAIQVNGQQIFDQASAAKFFTRYGVPEQKFNSTYNSFAVTAKVAESNKLAQQYQLTGVPAVVVNGKYVVQGEDGKVTQVLNYLIEKERKAK
  
Inhibitor
Name:
BDBM231639
Synonyms:
AFDQIDNAPEE
Type:
Small organic molecule
Emp. Form.:
C53H77N13O22
Mol. Mass.:
1248.2524
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: