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- PDB-204d: THE SOLUTION STRUCTURES OF PSORALEN MONOADDUCTED AND CROSSLINKED ... -

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Basic information

Entry
Database: PDB / ID: 204d
TitleTHE SOLUTION STRUCTURES OF PSORALEN MONOADDUCTED AND CROSSLINKED DNA OLIGOMERS BY NMR SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
ComponentsDNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3')
KeywordsDNA
Function / homology4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN / DNA
Function and homology information
MethodSOLUTION NMR
AuthorsSpielmann, H.P. / Dwyer, T.J. / Hearst, J.E. / Wemmer, D.E.
Citation
Journal: Biochemistry / Year: 1995
Title: Solution structures of psoralen monoadducted and cross-linked DNA oligomers by NMR spectroscopy and restrained molecular dynamics.
Authors: Spielmann, H.P. / Dwyer, T.J. / Hearst, J.E. / Wemmer, D.E.
#1: Journal: Proc.Natl.Acad.Sci.USA / Year: 1995
Title: DNA Structural Reorganization Upon Conversion of a Psoralen Furanside Monoadduct to an Interstrand Cross-Link: Implications for DNA Repair
Authors: Spielmann, H.P. / Dwyer, T.J. / Sastry, S.S. / Hearst, J.E. / Wemmer, D.E.
History
DepositionApr 6, 1995Processing site: BNL
Revision 1.0Sep 15, 1995Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 9, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4May 22, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3')
B: DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,1133
Polymers4,8552
Non-polymers2581
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)40 / -
Representative

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Components

#1: DNA chain DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3')


Mass: 2427.605 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: INTERSTRAND CROSSLINKED DNA OLIGONUCLEOTIDE
#2: Chemical ChemComp-PSO / 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN


Mass: 258.269 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C15H14O4

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Crystal grow
*PLUS
Method: other / Details: NMR

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Processing

SoftwareName: AMBER / Classification: refinement
NMR ensembleConformers submitted total number: 40

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