Reaction Details  Report a problem with these data
Cell Reactant:
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1)
Syringe Reactant:
BDBM228844
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2017-05-30
ΔG°:
-6.22±0.48 (kcal/mole)
pH:
8.0000±0.0000
Log10Kb:
5.6
Temperature:
298.1500±0.0000 (K)
ΔH° :
-8.61±0.19 (kJ/mole)
ΔS° :
-0.01±0 (kJ/mole-K)
Citation
 Mamonova, T; Zhang, Q; Chandra, M; Collins, BM; Sarfo, E; Bu, Z; Xiao, K; Bisello, A; Friedman, PA Origins of PDZ Binding Specificity. A Computational and Experimental Study Using NHERF1 and the Parathyroid Hormone Receptor. Biochemistry 56:2584-2593 (2017) [PubMed]  Article 
Cell React
Name:
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 [1-140]
Synonyms:
NHRF1_HUMAN | NHERF1 | NHERF | SLC9A3R1 | Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1)
Type:
Protein
Mol. Mass.:
14899.03
Organism:
Human
Description:
PDZ1 domain of human NHERF1 (1-140 aa)
Residue:
140
Sequence:
MSADAAAGAPLPRLCCLEKGPNGYGFHLHGEKGKLGQYIRLVEPGSPAEKAGLLAGDRLVEVNGENVEKETHQQVVSRIRAALNAVRLLVVDPETDEQLQKLGVQVREELLRAQEAPGQAEPPAAAEVQGAGNENEPREA
  
Syringe React
Name:
BDBM228844
Synonyms:
QEEWATVM | PTHRct-8 mutant (QEEWATVM)
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: