Cell Reactant:
hRXRα-LBD⋅9cUAB30
Syringe Reactant:
BDBM217359
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
03/17/17
ΔG°:
-8.3±0.02 (kcal/mole)
pH:
8±0
Temperature:
303.15±0 (K)
ΔH° :
-10.7±0.02 (kJ/mole)
ΔS° :
0.01±0 (kJ/mole-K)
Citation
 Boerma, LJXia, GQui, CCox, BDChalmers, MJSmith, CDLobo-Ruppert, SGriffin, PRMuccio, DDRenfrow, MB Defining the communication between agonist and coactivator binding in the retinoid X receptor a ligand binding domain. J Biol Chem 289:814-26 (2014) [PubMed]  Article
Cell React
Name:
hRXRα-LBD⋅9cUAB30
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Retinoid X receptor alpha ligand-binding domain (RXRα-LBD)
Synonyms:
NR2B1 | RXRA | RXRA_HUMAN
Type:
Protein
Mol. Mass.:
26819.71
Organism:
Homo sapiens (Human)
Description:
Human RXRα ligand binding domain (Thr223-Thr462)
Residue:
240
Sequence:
TSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
  
Component 2
Name:
BDBM50445062
Synonyms:
CHEMBL3098771
Type:
Small organic molecule
Emp. Form.:
C20H22O2
Mol. Mass.:
294.3875
SMILES:
C/C(/C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C\C(O)=O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM217359
Synonyms:
GRIP-1 | KHKILHRLLQDSS
Type:
Small organic molecule
Emp. Form.:
C69H119N23O19
Mol. Mass.:
1574.8259
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: