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- PDB-3cmh: SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST -

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Entry
Database: PDB / ID: 3cmh
TitleSYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST
ComponentsPROTEIN (ENDOTHELIN-1)
KeywordsCONTRACTILE PROTEIN / VASOCONSTRICTOR / ENDOTHELIN-1
Function / homology
Function and homology information


endothelin A receptor binding / protein kinase C deactivation / cellular response to human chorionic gonadotropin stimulus / meiotic cell cycle process involved in oocyte maturation / phospholipase D-activating G protein-coupled receptor signaling pathway / rhythmic excitation / endothelin B receptor binding / peptide hormone secretion / neural crest cell fate commitment / sympathetic neuron axon guidance ...endothelin A receptor binding / protein kinase C deactivation / cellular response to human chorionic gonadotropin stimulus / meiotic cell cycle process involved in oocyte maturation / phospholipase D-activating G protein-coupled receptor signaling pathway / rhythmic excitation / endothelin B receptor binding / peptide hormone secretion / neural crest cell fate commitment / sympathetic neuron axon guidance / glomerular endothelium development / vein smooth muscle contraction / body fluid secretion / noradrenergic neuron differentiation / response to prostaglandin F / positive regulation of sarcomere organization / positive regulation of renal sodium excretion / histamine secretion / positive regulation of chemokine-mediated signaling pathway / Peptide ligand-binding receptors / maternal process involved in parturition / rough endoplasmic reticulum lumen / pharyngeal arch artery morphogenesis / regulation of glucose transmembrane transport / positive regulation of odontogenesis / endothelin receptor signaling pathway involved in heart process / epithelial fluid transport / cardiac neural crest cell migration involved in outflow tract morphogenesis / negative regulation of hormone secretion / response to transforming growth factor beta / response to leptin / endothelin receptor signaling pathway / Weibel-Palade body / podocyte differentiation / response to ozone / renal sodium ion absorption / glomerular filtration / positive regulation of cell growth involved in cardiac muscle cell development / artery smooth muscle contraction / axonogenesis involved in innervation / neural crest cell development / cellular response to follicle-stimulating hormone stimulus / positive regulation of prostaglandin secretion / cellular response to luteinizing hormone stimulus / heart process / negative regulation of nitric-oxide synthase biosynthetic process / cellular response to mineralocorticoid stimulus / basal part of cell / respiratory gaseous exchange by respiratory system / positive regulation of urine volume / positive regulation of smooth muscle contraction / response to salt / regulation of pH / semaphorin-plexin signaling pathway involved in axon guidance / positive regulation of hormone secretion / regulation of systemic arterial blood pressure by endothelin / vasoconstriction / : / embryonic heart tube development / dorsal/ventral pattern formation / axon extension / superoxide anion generation / G alpha (q) signalling events / positive regulation of neutrophil chemotaxis / neural crest cell differentiation / cartilage development / middle ear morphogenesis / cellular response to glucocorticoid stimulus / blood vessel morphogenesis / prostaglandin biosynthetic process / cellular response to peptide hormone stimulus / negative regulation of protein metabolic process / nitric oxide transport / cellular response to fatty acid / branching involved in blood vessel morphogenesis / positive regulation of heart rate / : / response to testosterone / positive regulation of cardiac muscle hypertrophy / response to dexamethasone / negative regulation of smooth muscle cell apoptotic process / membrane depolarization / thyroid gland development / positive regulation of cell size / smooth muscle contraction / regulation of vasoconstriction / response to amino acid / canonical Wnt signaling pathway / cellular response to interleukin-1 / positive regulation of calcium-mediated signaling / positive regulation of vascular associated smooth muscle cell proliferation / cellular response to transforming growth factor beta stimulus / protein kinase A signaling / response to amphetamine / cellular response to calcium ion / response to muscle stretch / ERK1 and ERK2 cascade / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / positive regulation of mitotic nuclear division / mitochondrion organization
Similarity search - Function
Endothelin-like toxin / Endothelin-like toxin, conserved site / Endothelin / Endothelin family / Endothelin family signature. / Endothelin
Similarity search - Domain/homology
MethodSOLUTION NMR / DG, DSA, MD
AuthorsHewage, C.M. / Jiang, L. / Parkinson, J.A. / Ramage, R. / Sadler, I.H.
CitationJournal: J.Pept.Res. / Year: 1999
Title: Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
Authors: Hewage, C.M. / Jiang, L. / Parkinson, J.A. / Ramage, R. / Sadler, I.H.
History
DepositionSep 3, 1998Deposition site: BNL / Processing site: RCSB
Revision 1.0Sep 29, 1999Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 16, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: PROTEIN (ENDOTHELIN-1)


Theoretical massNumber of molelcules
Total (without water)1,8811
Polymers1,8811
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)1 / 10
Representative

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Components

#1: Protein/peptide PROTEIN (ENDOTHELIN-1)


Mass: 1881.198 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED FROM A BIOLOGICAL SOURCE.
References: UniProt: P22388

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY
NMR detailsText: 2D NMR METHODS USED

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Sample preparation

DetailsContents: 50% H2O/ 50% CD3OH
Sample conditionspH: 3.6 / Temperature: 298 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz

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Processing

NMR software
NameVersionClassification
TRIPOS6.1refinement
SYBYLTRIPOSstructure solution
RefinementMethod: DG, DSA, MD / Software ordinal: 1
NMR ensembleConformers calculated total number: 10 / Conformers submitted total number: 1

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