Cell Reactant:
AbDsbA(ox)/AFDQIDNAPEE
Syringe Reactant:
BDBM231642
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
06/06/17
ΔG°:
-12.21±n/a (kcal/mole)
pH:
7.4±0
Temperature:
298.15±0 (K)
ΔH° :
-9.57±0.48 (kJ/mole)
ΔS° :
0.01±0 (kJ/mole-K)
Comments:
Oxidized AbDsbA with AFDQIDNAPEE
Citation
 Premkumar, LKurth, FDuprez, WGrøftehauge, MKKing, GJHalili, MAHeras, BMartin, 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 
Cell React
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:
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
  
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:
Syringe React
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:
Search PDB for entries with ligand similarity: