BMRB Entry 5398

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5398
MolProbity Validation Chart

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Title:
Backbone and side chain 1H, 13C, and 15N chemical shift assignments for 3-methyladenine DNA glycosylase I (TAG) from Escherichia coli
Deposition date:
2002-06-17
Original release date:
2003-02-20
Authors:
Stivers, James; Drohat, Alexander
Citation:

Citation: Drohat, Alexander; Kwon, Keehwan; Krosky, Daniel; Stivers, James. "3-Methyladenine DNA Glycosylase I is an Unexpected Helix-hairpin-helix Superfamily Member"  Nat. Struct. Biol. 9, 659-664 (2002).
PubMed: 12161745

Assembly members:

Assembly members:
3-methyladenine DNA glycosylase I, polymer, 187 residues, 21114 Da.

Natural source:

Natural source:   Common Name: E. Coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
3-methyladenine DNA glycosylase I: MERCGWVSQDPLYIAYHDNE WGVPETDSKKLFEMICLEGQ QAGLSWITVLKKRENYRACF HQFDPVKVAAMQEEDVERLV QDAGIIRHRGKIQAIIGNAR AYLQMEQNGEPFADFVWSFV NHQPQMTQATTLSEIPTSTP ASDALSKALKKRGFKFVGTT ICYSFMQACGLVNDHVVGCC CYPGNKP

Data sets:
  • assigned_chemical_shifts
Data typeCount
1H chemical shifts1232
13C chemical shifts779
15N chemical shifts183

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
13-methyladenine DNA glycosylase I1

Entities:

Entity 1, 3-methyladenine DNA glycosylase I 187 residues - 21114 Da.

1   METGLUARGCYSGLYTRPVALSERGLNASP
2   PROLEUTYRILEALATYRHISASPASNGLU
3   TRPGLYVALPROGLUTHRASPSERLYSLYS
4   LEUPHEGLUMETILECYSLEUGLUGLYGLN
5   GLNALAGLYLEUSERTRPILETHRVALLEU
6   LYSLYSARGGLUASNTYRARGALACYSPHE
7   HISGLNPHEASPPROVALLYSVALALAALA
8   METGLNGLUGLUASPVALGLUARGLEUVAL
9   GLNASPALAGLYILEILEARGHISARGGLY
10   LYSILEGLNALAILEILEGLYASNALAARG
11   ALATYRLEUGLNMETGLUGLNASNGLYGLU
12   PROPHEALAASPPHEVALTRPSERPHEVAL
13   ASNHISGLNPROGLNMETTHRGLNALATHR
14   THRLEUSERGLUILEPROTHRSERTHRPRO
15   ALASERASPALALEUSERLYSALALEULYS
16   LYSARGGLYPHELYSPHEVALGLYTHRTHR
17   ILECYSTYRSERPHEMETGLNALACYSGLY
18   LEUVALASNASPHISVALVALGLYCYSCYS
19   CYSTYRPROGLYASNLYSPRO

Samples:

Sample_1: 3-methyladenine DNA glycosylase I0.5 – 1.0 mM; sodium phosphate buffer 10 mM; NaCl 100 mM; DTT 3 mM; NaN3 0.3 mM

Sample_2: 3-methyladenine DNA glycosylase I, [U-15N], 0.5 – 1.0 mM; sodium phosphate buffer 10 mM; NaCl 100 mM; DTT 3 mM; NaN3 0.3 mM

Sample_3: 3-methyladenine DNA glycosylase I, [U-13C; U-15N], 0.5 – 1.0 mM; sodium phosphate buffer 10 mM; NaCl 100 mM; DTT 3 mM; NaN3 0.3 mM

sample_condition_1: pH: 6.6; temperature: 293 K; ionic strength: 110 mM

Experiments:

NameSampleSample stateSample conditions
13C-edited HSQCnot availablenot availablesample_condition_1
15N-edited HSQCnot availablenot availablesample_condition_1
2D NOESY (t = 125 ms) in D2Onot availablenot availablesample_condition_1
2D TOCSY in D2Onot availablenot availablesample_condition_1
HNCAnot availablenot availablesample_condition_1
HNCOnot availablenot availablesample_condition_1
HCACOnot availablenot availablesample_condition_1
HNCACBnot availablenot availablesample_condition_1
CBCA(CO)NHnot availablenot availablesample_condition_1
HBHA(CO)NHnot availablenot availablesample_condition_1
HCCH-TOCSYnot availablenot availablesample_condition_1
HCCH-COSYnot availablenot availablesample_condition_1
15N-edited TOCSYnot availablenot availablesample_condition_1
15N-edited NOESY (t = 125 ms)not availablenot availablesample_condition_1
13C-edited NOESY aliphatic (t = 125 ms)not availablenot availablesample_condition_1
13C-edited NOESY aromatic (t = 125 ms)not availablenot availablesample_condition_1
4D 13C,13C-edited NOESY (t = 100 ms)not availablenot availablesample_condition_1

Software:

NMRPipe - processing

SPARKY v3 - data analysis

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz
  • Bruker DMX 750 MHz
  • Varian UnityPlus 600 MHz

Related Database Links:

BMRB 5668
PDB
DBJ BAB37857 BAE77746 BAG79346 BAI28206 BAI33380
EMBL CAA27472 CAP78009 CAQ33867 CAR00511 CAR05177
GB AAA24658 AAB18526 AAC76573 AAG58698 AAN82803
REF NP_290134 NP_312461 NP_418005 NP_756229 WP_000438929
SP P05100
AlphaFold P05100

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks