BMRB Entry 5730

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PDB ID: 1n8c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5730
MolProbity Validation Chart

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Title:
1H Chemical Shift Assignments for a DNA Duplex with N6-Deoxyadenosine Adduct of (9S,10R)-9,10-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene
Deposition date:
2003-03-11
Original release date:
2003-05-19
Authors:
Volk, D.; Thiviyanathan, V.; Rice, J.; Luxon, B.; Shah, J.; Yagi, H.; Sayer, J.; Yeh, H.; Jerina, D.; Gorenstein, D.
Citation:

Citation: Volk, David; Thiviyanathan, Varatharasa; Rice, Jeffrey; Luxon, Bruce; Shah, Jamshed; Yagi, Haruhiko; Sayer, Jane; Yeh, Herman; Jerina, Donald; Gorenstein, David. "Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex"  Biochemistry 42, 1410-1420 (2003).
PubMed: 12578353

Assembly members:

Assembly members:
Benzo[a]pyrene adducted DNA duplex, polymer, 11 residues, Formula weight is not available
Benzo[a]pyrene adducted DNA duplex, polymer, 11 residues, Formula weight is not available
1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, non-polymer, 304.339 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Benzo[a]pyrene adducted DNA duplex: CGGTCACGAGG
Benzo[a]pyrene adducted DNA duplex: CCTCGTGACCG

Data typeCount
1H chemical shifts234

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1Strand11
2Strand22
37,8,9,10-tetrahydro benzo[a]pyrene3

Entities:

Entity 1, Strand1 11 residues - Formula weight is not available

1   DCDGDGDTDCDADCDGDADG
2   DG

Entity 2, Strand2 11 residues - Formula weight is not available

1   DCDCDTDCDGDTDGDADCDC
2   DG

Entity 3, 7,8,9,10-tetrahydro benzo[a]pyrene - C20 H16 O3 - 304.339 Da.

1   BAP