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- PDB-1yy1: NMR Conformational Analysis of LHRH and its analogues -

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Basic information

Entry
Database: PDB / ID: 1yy1
TitleNMR Conformational Analysis of LHRH and its analogues
ComponentsGonadotropin Releasing Hormone
KeywordsHORMONE/GROWTH FACTOR / U-shape like peptide / HORMONE-GROWTH FACTOR COMPLEX
Function / homology
Function and homology information


regulation of luteinizing hormone secretion / regulation of follicle-stimulating hormone secretion / gonadotropin hormone-releasing hormone activity / multicellular organism development / extracellular region
Similarity search - Function
Gonadoliberin I precursor / Gonadotropin-releasing hormone / Gonadoliberin / Gonadotropin-releasing hormone / Gonadotropin-releasing hormones signature.
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / torsion angle dynamics
Model type detailsminimized average
AuthorsSpyroulias, G.A. / Zompra, A. / Magafa, V. / Cordopatis, P.
CitationJournal: To be Published
Title: NMR Conformational Analysis of LHRH and its analogues
Authors: Spyroulias, G.A. / Zompra, A. / Magafa, V. / Cordopatis, P.
History
DepositionFeb 23, 2005Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Feb 21, 2006Provider: repository / Type: Initial release
Revision 1.1Jan 31, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 2.0Dec 25, 2019Group: Data collection / Derived calculations ...Data collection / Derived calculations / Polymer sequence / Source and taxonomy
Category: entity_poly / pdbx_entity_src_syn ...entity_poly / pdbx_entity_src_syn / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_assembly_prop / pdbx_struct_mod_residue / pdbx_struct_oper_list / struct_conn
Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_entity_src_syn.details ..._entity_poly.pdbx_seq_one_letter_code_can / _pdbx_entity_src_syn.details / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_common_name / _pdbx_entity_src_syn.organism_scientific / _pdbx_nmr_software.name / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Gonadotropin Releasing Hormone


Theoretical massNumber of molelcules
Total (without water)1,1831
Polymers1,1831
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
Buried area120 Å2
ΔGint1 kcal/mol
Surface area1250 Å2
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)21 / 400target function
RepresentativeModel #1minimized average structure

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Components

#1: Protein/peptide Gonadotropin Releasing Hormone / Luteinizing Hormone Releasing Hormone


Mass: 1183.300 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q28588*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D TOCSY
1212D NOESY
1311H-13C HSQC
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 2.0-3.0mM / Solvent system: DMSO
Sample conditionsPressure: ambient / Temperature: 298 K

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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
XwinNMR3.1Brukercollection
XwinNMR3.1Brukerprocessing
XEASY1.3Eccles C, Guntert P, Billeter M, Wuthrich Kdata analysis
DYANA1.5Guntert P, Mumenthaler C, Wuthrich Kstructure solution
Amber5refinement
RefinementMethod: torsion angle dynamics / Software ordinal: 1
Details: The models have been determined using 138 NOE-derived distance constraints
NMR representativeSelection criteria: minimized average structure
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 400 / Conformers submitted total number: 21

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