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- PDB-1go9: Monitoring the structural Consequences of Phe12-->D-Phe12 and Leu... -

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Basic information

Entry
Database: PDB / ID: 1go9
TitleMonitoring the structural Consequences of Phe12-->D-Phe12 and Leu15-->Aib15 substitution in h/r Corticotropin Releasing Hormone: Implications for Design of CRH antagonists.
ComponentsCORTICOTROPIN RELEASING HORMONE
KeywordsHORMONE / CORTICOTROPIN RELEASING HORMONE / SYNTHETIC ANALOGUES / SOLID PHASE SYNTHESIS / SOLUTIONS STRUCTURE
Function / homology
Function and homology information


corticotropin-releasing hormone activity / positive regulation of digestive system process / positive regulation of corticosterone secretion / positive regulation of circadian sleep/wake cycle, wakefulness / negative regulation of circadian sleep/wake cycle, REM sleep / corticotropin-releasing hormone receptor 2 binding / positive regulation of corticotropin secretion / positive regulation of cortisol secretion / regulation of serotonin secretion / negative regulation of glucagon secretion ...corticotropin-releasing hormone activity / positive regulation of digestive system process / positive regulation of corticosterone secretion / positive regulation of circadian sleep/wake cycle, wakefulness / negative regulation of circadian sleep/wake cycle, REM sleep / corticotropin-releasing hormone receptor 2 binding / positive regulation of corticotropin secretion / positive regulation of cortisol secretion / regulation of serotonin secretion / negative regulation of glucagon secretion / MECP2 regulates transcription of neuronal ligands / positive regulation of behavioral fear response / glucocorticoid biosynthetic process / negative regulation of norepinephrine secretion / parturition / hormone-mediated apoptotic signaling pathway / negative regulation of luteinizing hormone secretion / monoatomic ion homeostasis / negative regulation of epinephrine secretion / varicosity / positive regulation of cAMP-mediated signaling / response to ether / corticotropin-releasing hormone receptor 1 binding / neuropeptide hormone activity / synaptic transmission, dopaminergic / negative regulation of systemic arterial blood pressure / regulation of NMDA receptor activity / Class B/2 (Secretin family receptors) / cellular response to cocaine / diterpenoid metabolic process / adrenal gland development / response to corticosterone / response to aldosterone / hypothalamus development / response to pain / positive regulation of calcium ion import / locomotory exploration behavior / positive regulation of insulin secretion involved in cellular response to glucose stimulus / associative learning / response to immobilization stress / cellular response to dexamethasone stimulus / female pregnancy / long-term synaptic potentiation / lung development / hormone activity / response to estrogen / G alpha (s) signalling events / chemical synaptic transmission / perikaryon / neuron apoptotic process / response to ethanol / learning or memory / inflammatory response / positive regulation of protein phosphorylation / response to xenobiotic stimulus / negative regulation of gene expression / signaling receptor binding / positive regulation of cell population proliferation / synapse / positive regulation of gene expression / signal transduction / extracellular space / extracellular region
Similarity search - Function
Urocortin/corticotropin-releasing factor / Corticotropin-releasing factor conserved site / Corticotropin-releasing factor family signature. / corticotropin-releasing factor / Corticotropin-releasing factor / Corticotropin-releasing factor family
Similarity search - Domain/homology
Biological speciesHOMO SAPIENS (human)
MethodSOLUTION NMR / HYBRID DISTANCE GEOMETRY SIMULATED ANNEALING IN TORSION ANGLE SPACE
Model type detailsMINIMIZED AVERAGE
AuthorsSpyroulias, G.A. / Papazacharias, S. / Pairas, G. / Cordopatis, P.
Citation
Journal: Eur.J.Biochem. / Year: 2002
Title: Monitoring the Structural Consequences of Phe12-->D-Phe and Leu15-->Aib Substitution in Human/Rat Corticotropin Releasing Hormone. Implications for Design of Crh Antagonists.
Authors: Spyroulias, G.A. / Papazacharias, S. / Pairas, G. / Cordopatis, P.
#1: Journal: Protein Eng. / Year: 1993
Title: Solution Structure of Human Corticotropin Releasing Factor by 1H NMR and Distance Geometry with Restrained Molecular Dynamics.
Authors: Romier, C. / Bernassau, J.M. / Cambillau, C. / Darbon, H.
History
DepositionOct 20, 2001Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 31, 2001Provider: repository / Type: Initial release
Revision 1.1Dec 21, 2016Group: Database references / Derived calculations ...Database references / Derived calculations / Other / Source and taxonomy / Structure summary / Version format compliance

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: CORTICOTROPIN RELEASING HORMONE


Theoretical massNumber of molelcules
Total (without water)4,7341
Polymers4,7341
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 / 40LEAST RESTRAINT VIOLATION
Representative

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Components

#1: Protein/peptide CORTICOTROPIN RELEASING HORMONE / CORTICOLIBERIN


Mass: 4734.436 Da / Num. of mol.: 1 / Mutation: YES / Source method: obtained synthetically
Details: SYNTHETIC ANALOGUE SYNTHESIZED THROUGH SOLID PHASE SYNTHESIS USING FMOC/TBU SYNTHETIC PROTOCOLS. NATIVE PHE12 AND LEU15 HAS BEEN SUBSTITUTED BY D-PHE AND ALPHA-AMINOISOBUTYRIC ACID
Source: (synth.) HOMO SAPIENS (human) / References: UniProt: P06850

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121TOCSY
131NOESY
NMR detailsText: MEAN STRUCTURE. THE STRUCTURE WAS DETERMINED USING 1H-1H DOUBLE-RESONANCE NMR SPECTROSCOPY. NMR-DERRIVED DISTANCE RESTRAINTS AND 3JHAHN COUPLING CONSTANTS AS WELL AS H-BOND CONSTRAINTS USED IN ...Text: MEAN STRUCTURE. THE STRUCTURE WAS DETERMINED USING 1H-1H DOUBLE-RESONANCE NMR SPECTROSCOPY. NMR-DERRIVED DISTANCE RESTRAINTS AND 3JHAHN COUPLING CONSTANTS AS WELL AS H-BOND CONSTRAINTS USED IN STRUCTURAL CALCULATION AND REFIMENT PROCEEDURE.

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Sample preparation

DetailsContents: 34% H2O / 66% TFE
Sample conditionspH: 3.8 / Pressure: 1 atm / Temperature: 310 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
AMBER5PETER KOLLMAN, DAVE CASE, KEN MERZ, THOMAS CHEATHAM, CARLOS SIMMERLING, TOM DARDENrefinement
DYANAstructure solution
AMBERstructure solution
RefinementMethod: HYBRID DISTANCE GEOMETRY SIMULATED ANNEALING IN TORSION ANGLE SPACE
Software ordinal: 1
Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 40 / Conformers submitted total number: 1

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