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Backbone and side chain 1H, 13C, and 15N chemical shift assignments for 3-methyladenine DNA glycosylase I (TAG) from Escherichia coli
Authors
Stivers, J.T., Drohat, A.C.
Assembly
3-methyladenine DNA glycosylase I
Entity
1. 3-methyladenine DNA glycosylase I (polymer, Thiol state: all free), 187 monomers, 21113.91 Da Detail

MERCGWVSQD PLYIAYHDNE WGVPETDSKK LFEMICLEGQ QAGLSWITVL KKRENYRACF HQFDPVKVAA MQEEDVERLV QDAGIIRHRG KIQAIIGNAR AYLQMEQNGE PFADFVWSFV NHQPQMTQAT TLSEIPTSTP ASDALSKALK KRGFKFVGTT ICYSFMQACG LVNDHVVGCC CYPGNKP


Formula weight
21113.91 Da
Source organism
Escherichia coli
Exptl. method
NMR
Refine. method
Structures were calculated from an extended strand using CNS 1.1,
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 99.5 %, Completeness: 90.9 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All90.9 % (1991 of 2191)90.7 % (1034 of 1140)91.9 % (780 of 849)87.6 % (177 of 202)
Backbone97.5 % (1076 of 1104)96.8 % (366 of 378)98.2 % (538 of 548)96.6 % (172 of 178)
Sidechain86.0 % (1085 of 1261)87.7 % (668 of 762)86.7 % (412 of 475)20.8 % (5 of 24)
Aromatic71.4 % (147 of 206)77.7 % (80 of 103)64.6 % (64 of 99)75.0 % (3 of 4)
Methyl98.9 % (182 of 184)97.8 % (90 of 92)100.0 % (92 of 92)

1. 3-methyladenine DNA glycosylase I

MERCGWVSQD PLYIAYHDNE WGVPETDSKK LFEMICLEGQ QAGLSWITVL KKRENYRACF HQFDPVKVAA MQEEDVERLV QDAGIIRHRG KIQAIIGNAR AYLQMEQNGE PFADFVWSFV NHQPQMTQAT TLSEIPTSTP ASDALSKALK KRGFKFVGTT ICYSFMQACG LVNDHVVGCC CYPGNKP

Sample

Temperature 293 (±1) K, pH 6.6 (±0.1)


#NameIsotope labelingTypeConcentration
113-methyladenine DNA glycosylase I[U-13C; U-15N]0.5 ~ 1.0 mM
12sodium phosphate buffer10 mM
13NaCl100 mM
14DTT3 mM
15NaN30.3 mM

LACS Plot; CA
Referencing offset: 0.29 ppm, Outliers: 6 Detail
LACS Plot; CB
Referencing offset: 0.29 ppm, Outliers: 6 Detail
LACS Plot; HA
Referencing offset: 0.03 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: -0.2 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 25 models in PDB: 1LMZ, Strand ID: A Detail


Release date
2003-02-19
Citation
3-Methyladenine DNA glycosylase I is an unexpected helix-hairpin-helix superfamily member
Drohat, A.C., Kwon, K., Krosky, D.J., Stivers, J.T.
Nat. Struct. Biol. (2002), 9, 659-664, PubMed 12161745 , DOI 10.1038/nsb829 ,
Related entities 1. 3-methyladenine DNA glycosylase I, : 1 : 2 : 47 entities Detail
Interaction partners 1. 3-methyladenine DNA glycosylase I, : 3 interactors Detail
Experiments performed 17 experiments Detail
nullKeywords TAG, 3-Methyladenine DNA glycosylase I, helix-hairpin-helix superfamily, DNA repair