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- PDB-1b0q: DITHIOL ALPHA MELANOTROPIN PEPTIDE CYCLIZED VIA RHENIUM METAL COO... -

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Basic information

Entry
Database: PDB / ID: 1b0q
TitleDITHIOL ALPHA MELANOTROPIN PEPTIDE CYCLIZED VIA RHENIUM METAL COORDINATION
ComponentsPROTEIN (CYCLIC ALPHA MELANOCYTE STIMULATING HORMONE)
KeywordsHORMONE/GROWTH FACTOR / ALPHA MELANOCYTE STIMULATING HORMONE / RHENIUM TECHNETIUM / HORMONE-GROWTH FACTOR COMPLEX
Function / homologyRHENIUM
Function and homology information
MethodSOLUTION NMR
AuthorsGiblin, M.F. / Wang, N. / Hoffman, T.J. / Jurisson, S.S. / Quinn, T.P.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 1998
Title: Design and characterization of alpha-melanotropin peptide analogs cyclized through rhenium and technetium metal coordination.
Authors: Giblin, M.F. / Wang, N. / Hoffman, T.J. / Jurisson, S.S. / Quinn, T.P.
History
DepositionNov 12, 1998Deposition site: BNL / Processing site: RCSB
Revision 1.0Nov 18, 1998Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Revision 1.5Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PROTEIN (CYCLIC ALPHA MELANOCYTE STIMULATING HORMONE)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,5182
Polymers1,3321
Non-polymers1861
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 / -
Representative

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Components

#1: Protein/peptide PROTEIN (CYCLIC ALPHA MELANOCYTE STIMULATING HORMONE) / MSH


Mass: 1331.610 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: COMPOUND CYCLIZED THROUGH RHENIUM METAL COODINATION
#2: Chemical ChemComp-RE / RHENIUM


Mass: 186.207 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Re
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121COSY
131TOCSY
NMR detailsText: MINIMIZED AVERAGE STRUCTURE

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Sample preparation

Sample conditionspH: 5.2 / Pressure: 1 atm / Temperature: 278 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DMX500 / Manufacturer: Bruker / Model: DMX500 / Field strength: 500 MHz

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Processing

NMR software
NameVersionDeveloperClassification
SYBYLTRIPOS, INC.refinement
BRUKER UXNMRUXNMRstructure solution
SYBYLstructure solution
RefinementSoftware ordinal: 1
Details: MODELING DETAILS CAN BE FOUND IN THE JNRL CITATION ABOVE
NMR ensembleConformers submitted total number: 1

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