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Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Zinc-containing 3-methyladenine DNA glycosylase I (TAG) from Escherichia coli
Authors
Stivers, J.T., Drohat, A.C., Cao, C.
Assembly
3-methyladenine DNA glycosylase I
Entity
1. 3-methyladenine DNA glycosylase I (polymer, Thiol state: free and other bound), 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


2. ZN (non-polymer), 65.409 Da
Total weight
21179.318 Da
Max. entity weight
21113.91 Da
Entity Connection
na 4 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1nasing1:CYS4:SG2:ZN1:ZN
2nasing1:HIS17:NE22:ZN1:ZN
3nasing1:HIS175:ND12:ZN1:ZN
4nasing1:CYS179:SG2:ZN1:ZN

Source organism
Escherichia coli
Exptl. method
NMR
Refine. method
torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.9 %, Completeness: 92.8 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All92.8 % (2034 of 2191)93.3 % (1064 of 1140)93.2 % (791 of 849)88.6 % (179 of 202)
Backbone97.7 % (1079 of 1104)97.6 % (369 of 378)98.2 % (538 of 548)96.6 % (172 of 178)
Sidechain89.2 % (1125 of 1261)91.2 % (695 of 762)89.1 % (423 of 475)29.2 % (7 of 24)
Aromatic82.5 % (170 of 206)90.3 % (93 of 103)74.7 % (74 of 99)75.0 % (3 of 4)
Methyl100.0 % (184 of 184)100.0 % (92 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 #1

Temperature 293 (±1) K, pH 6.6 (±0.1)


#NameIsotope labelingTypeConcentration
13-methyladenine DNA glycosylase I0.5 ~ 1.0 mM
2sodium phosphate buffer10 mM
3NaCl100 mM
4DTT3 mM
5NaN30.3 mM
Sample #2

Temperature 293 (±1) K, pH 6.6 (±0.1)


#NameIsotope labelingTypeConcentration
63-methyladenine DNA glycosylase I[U-15N]0.5 ~ 1.0 mM
7sodium phosphate buffer10 mM
8NaCl100 mM
9DTT3 mM
10NaN30.3 mM
Sample #3

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: 1NKU, Strand ID: A Detail


Release date
2003-10-07
Citation
A novel zinc snap motif conveys structural stability to 3-methyladenine DNA glycosylase I
Kwon, K., Cao, C., Stivers, J.T.
J. Biol. Chem. (2003), 278, 19442-19446, PubMed 12654914 , DOI 10.1074/jbc.M300934200 ,
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 18 experiments Detail
nullKeywords TAG, 3-Methyladenine DNA glycosylase I, helix-hairpin-helix superfamily, DNA repair