PDBsum entry 2ah3

Signaling protein

PDB id: 2ah3

Contents

Protein chain

359 a.a.

Ligands

ASP-ARG-VAL-TYR-VAL-HIS-PRO-PHE

Theoretical model

PDB id:

2ah3

Name:

Signaling protein

Title:

Angiotensin ii type 1a receptor bound to angii hormone

Structure:

Type-1 angiotensin ii receptor. Chain: a. Synonym: at1, at1a. Angiotensinogen. Chain: b. Fragment: n-terminal 8 residues. Synonym: ang iii, des-asp[1]-angiotensin ii, ] fragment

Source:

Rattus norvegicus. Rat. Bos taurus. Bovine

Authors:

C.Baleanu-Gogonea

Key ref:

C.Baleanu-Gogonea and S.Karnik (2006). Model of the whole rat AT1 receptor and the ligand-binding site. J Mol Model, 12, 325-337. PubMed id: 16404618

Date:

27-Jul-05 Release date: 03-Oct-06

Protein chain

P25095  (AGTRA_RAT) -  Type-1A angiotensin II receptor from Rattus norvegicus

Seq: 359 a.a.

Struc: 359 a.a.

J Mol Model 12:325-337 (2006)

PubMed id: 16404618

Model of the whole rat AT1 receptor and the ligand-binding site.

C.Baleanu-Gogonea, S.Karnik.

ABSTRACT

We present a three-dimensional model of the rat type 1 receptor (AT1) for the hormone angiotensin II (Ang II). Ang II and the AT1 receptor play a critical role in the cell-signaling process responsible for the actions of renin-angiotensin system in the regulation of blood pressure, water-electrolyte homeostasis and cell growth. Development of improved therapeutics would be significantly enhanced with the availability of a 3D-structure model for the AT1 receptor and of the binding site for agonists and antagonists. This model was constructed using a combination of computation and homology-modeling techniques starting with the experimentally determined three-dimensional structure of bovine rhodopsin (PDB#1F88) as a template. All 359 residues and two disulfide bonds in the rat AT1 receptor have been accounted for in this model. Ramachandran-map analysis and a 1 nanosecond molecular dynamics simulation of the solvated receptor with and without the bound ligand, Ang II, lend credence to the validity of the model. Docking calculations were performed with the agonist, Ang II and the antihypertensive antagonist, losartan. [Figure: see text].