Reaction Details Report a problem with these data
Target
Thiol:disulfide interchange protein [27-205]/AFDQIDNAPEE
Ligand
BDBM231642
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry (ITC)
pH
7.4±0
Temperature
298.15±0 K
Kd
9.4±1.9 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  BDB Entry
Target
Name:
Thiol:disulfide interchange protein [27-205]/AFDQIDNAPEE
Synonyms:
AbDsbA(ox)/AFDQIDNAPEE
Type:
Protein
Mol. Mass.:
n/a
Description:
Oxidized AbDsbA with AFDQIDNAPEE
Components:
This complex has 2 components.
Component 1
Name:
Thiol:disulfide interchange protein [27-205]
Synonyms:
Thiol:disulfide interchange protein (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
  
Component 2
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:
Inhibitor
Name:
BDBM231642
Synonyms:
PSCGPGL
Type:
Small organic molecule
Emp. Form.:
C26H43N7O9S
Mol. Mass.:
629.726
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(O)=O |r|
Structure:
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