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- PDB-1n9v: Differences and Similarities in Solution Structures of Angiotensi... -

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Basic information

Entry
Database: PDB / ID: 1n9v
TitleDifferences and Similarities in Solution Structures of Angiotensin I & II: Implication for Structure-Function Relationship.
ComponentsAngiotensin II
KeywordsSIGNALING PROTEIN / Angiotensin / Renin-Angiotensin System / Solid Phase Peptide Synthesis / NMR Solution Structure / Peptides
Function / homology
Function and homology information


regulation of blood volume by renin-angiotensin / response to muscle activity involved in regulation of muscle adaptation / type 2 angiotensin receptor binding / negative regulation of neurotrophin TRK receptor signaling pathway / regulation of renal sodium excretion / G protein-coupled receptor signaling pathway coupled to cGMP nucleotide second messenger / maintenance of blood vessel diameter homeostasis by renin-angiotensin / regulation of extracellular matrix assembly / regulation of renal output by angiotensin / positive regulation of extracellular matrix assembly ...regulation of blood volume by renin-angiotensin / response to muscle activity involved in regulation of muscle adaptation / type 2 angiotensin receptor binding / negative regulation of neurotrophin TRK receptor signaling pathway / regulation of renal sodium excretion / G protein-coupled receptor signaling pathway coupled to cGMP nucleotide second messenger / maintenance of blood vessel diameter homeostasis by renin-angiotensin / regulation of extracellular matrix assembly / regulation of renal output by angiotensin / positive regulation of extracellular matrix assembly / renin-angiotensin regulation of aldosterone production / renal system process / vasoconstriction / positive regulation of branching involved in ureteric bud morphogenesis / positive regulation of cholesterol metabolic process / type 1 angiotensin receptor binding / response to angiotensin / low-density lipoprotein particle remodeling / positive regulation of macrophage derived foam cell differentiation / positive regulation of extrinsic apoptotic signaling pathway / positive regulation of epidermal growth factor receptor signaling pathway / positive regulation of cardiac muscle hypertrophy / negative regulation of MAP kinase activity / positive regulation of gap junction assembly / blood vessel remodeling / regulation of cardiac conduction / regulation of vasoconstriction / positive regulation of epithelial to mesenchymal transition / Metabolism of Angiotensinogen to Angiotensins / nitric oxide-cGMP-mediated signaling / positive regulation of endothelial cell migration / Peptide ligand-binding receptors / positive regulation of cytokine production / angiotensin-activated signaling pathway / growth factor activity / kidney development / regulation of cell growth / serine-type endopeptidase inhibitor activity / PPARA activates gene expression / hormone activity / positive regulation of miRNA transcription / regulation of blood pressure / positive regulation of reactive oxygen species metabolic process / positive regulation of fibroblast proliferation / positive regulation of inflammatory response / cell-cell signaling / regulation of cell population proliferation / : / regulation of apoptotic process / G alpha (i) signalling events / phospholipase C-activating G protein-coupled receptor signaling pathway / blood microparticle / G alpha (q) signalling events / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / G protein-coupled receptor signaling pathway / positive regulation of DNA-templated transcription / extracellular space / extracellular exosome / extracellular region
Similarity search - Function
Angiotensinogen, serpin domain / Angiotensinogen / Serpin, conserved site / Serpins signature. / Serpin superfamily, domain 2 / Serpin family / Serpin domain / Serpin superfamily / Serpin superfamily, domain 1 / Serpin (serine protease inhibitor) / SERine Proteinase INhibitors
Similarity search - Domain/homology
MethodSOLUTION NMR / simulated annealing, torsion angle dynamics
AuthorsSpyroulias, G.A. / Nikolakopoulou, P. / Tzakos, A. / Gerothanassis, I.P. / Magafa, V. / Manessi-Zoupa, E. / Cordopatis, P.
Citation
Journal: Eur.J.Biochem. / Year: 2003
Title: Comparison of the solution structures of angiotensin I & II. Implication for structure-function relationship.
Authors: Spyroulias, G.A. / Nikolakopoulou, P. / Tzakos, A. / Gerothanassis, I.P. / Magafa, V. / Manessi-Zoupa, E. / Cordopatis, P.
#1: Journal: J.Biol.Chem. / Year: 1994
Title: Role of the NH2-terminal domain of angiotensin II (ANG II) and [Sar1]angiotensin II on conformation and activity. NMR evidence for aromatic ring clustering and peptide backbone folding ...Title: Role of the NH2-terminal domain of angiotensin II (ANG II) and [Sar1]angiotensin II on conformation and activity. NMR evidence for aromatic ring clustering and peptide backbone folding compared with [des-1,2,3]angiotensin II
Authors: Matsoukas, J.M. / Hondrelis, J. / Keramida, M. / Mavromoustakos, T. / Makriyannis, A. / Yamdagni, R. / Wu, Q. / Moore, G.J.
History
DepositionNov 26, 2002Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 29, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Dec 21, 2016Group: Structure summary
Revision 1.4May 1, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_nmr_software
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Angiotensin II


Theoretical massNumber of molelcules
Total (without water)1,0481
Polymers1,0481
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)21 / 300target function for models 1-20, mean energy minimized for model 21
RepresentativeModel #21

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Components

#1: Protein/peptide Angiotensin II / ANG II


Mass: 1048.195 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: THE Peptide WAS made through Solid phase synthesis using Fmoc chemistry. THE SEQUENCE OF THE peptide IS NATURALLY FOUND IN homo sapiens.
References: UniProt: P01019

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111DQF-COSY
1212D TOCSY
1312D NOESY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques. Models 1-20 are the family ensemble, while model 21 is the minimized average structure derived from that ensemble.

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Sample preparation

DetailsContents: 2.5 mM; DMSO-d6 / Solvent system: DMSO-d6
Sample conditionsPressure: ambient / Temperature: 298 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DPX / Manufacturer: Bruker / Model: DPX / Field strength: 400 MHz

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR2.6collection
XwinNMR2.6processing
XEASY1.3Tai-he Xia, Christian Bartels, Kurt Wuthtrichdata analysis
DYANA1.5Peter Guntert, Christian Mumenthaler, Kurt Wuthrichstructure solution
Amber5KOLLMAN, CASE, MERZ, CHEATHAM, SIMMERLING, DARDEN, PEARLMANrefinement
RefinementMethod: simulated annealing, torsion angle dynamics / Software ordinal: 1
Details: This structure is based on a 225 NOE-derived distance constraints, 7 dihedral angle restraints, 1 distance restraint from hydrogen bond
NMR ensembleConformer selection criteria: target function for models 1-20, mean energy minimized for model 21
Conformers calculated total number: 300 / Conformers submitted total number: 21

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