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1H, 13C and 15N resonance assignments for the perdeuterated 22 kD palm-thumb domain of DNA polymerase B in complex with the XRCC1 N-terminal domain
Authors
Gryk, M.R., Marintchev, A., Maciejewski, M.W., Robertson, A., Mullen, M.A., Wilson, S.H., Mullen, G.P.
Assembly
Palm-Thumb Domain of DNA Polymerase B in complex with XRCC1-NTD
Entity
1. DNA Polymerase B (polymer, Thiol state: all free), 190 monomers, 22021.77 Da Detail

MGKRIPREEM LQMQDIVLNE VKKLDPEYIA TVCGSFRRGA ESSGDMDVLL THPNFTSESS KQPKLLHRVV EQLQKVRFIT DTLSKGETKF MGVCQLPSEN DENEYPHRRI DIRLIPKDQY YCGVLYFTGS DIFNKNMRAH ALEKGFTINE YTIRPLGVTG VAGEPLPVDS EQDIFDYIQW RYREPKDRSE


2. XRCC1 N-terminal Domain (polymer, Thiol state: all free), 157 monomers, 17358.29 Da Detail

MPEIRLRHVV SCSSQDSTHC AENLLKADTY RKWRAAKAGE KTISVVLQLE KEEQIHSVDI GNDGSAFVEV LVGSSAGGAG EQDYEVLLVT SSFMSPSESR SGSNPNRVRM FGPDKLVRAA AEKRWDRVKI VCSQPYSKDS PFGLSFVRFH SPPDKDE


Total weight
39380.06 Da
Max. entity weight
22021.77 Da
Source organism
Rattus norvegicus , Homo sapiens
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 53.6 %, Completeness: 24.9 %, Completeness (bb): 38.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All24.9 % (1011 of 4057)15.2 % (324 of 2128)33.1 % (520 of 1573)46.9 % (167 of 356)
Backbone38.7 % (791 of 2044)27.5 % (192 of 697)42.6 % (434 of 1019)50.3 % (165 of 328)
Sidechain14.7 % (344 of 2338) 9.2 % (132 of 1431)23.9 % (210 of 879) 7.1 % (2 of 28)
Aromatic 7.8 % (23 of 296)13.5 % (20 of 148) 1.4 % (2 of 145)33.3 % (1 of 3)
Methyl34.2 % (115 of 336)34.5 % (58 of 168)33.9 % (57 of 168)

1. DNA Polymerase B

MGKRIPREEM LQMQDIVLNE VKKLDPEYIA TVCGSFRRGA ESSGDMDVLL THPNFTSESS KQPKLLHRVV EQLQKVRFIT DTLSKGETKF MGVCQLPSEN DENEYPHRRI DIRLIPKDQY YCGVLYFTGS DIFNKNMRAH ALEKGFTINE YTIRPLGVTG VAGEPLPVDS EQDIFDYIQW RYREPKDRSE

2. XRCC1 N-terminal Domain

MPEIRLRHVV SCSSQDSTHC AENLLKADTY RKWRAAKAGE KTISVVLQLE KEEQIHSVDI GNDGSAFVEV LVGSSAGGAG EQDYEVLLVT SSFMSPSESR SGSNPNRVRM FGPDKLVRAA AEKRWDRVKI VCSQPYSKDS PFGLSFVRFH SPPDKDE

Sample

Temperature 298 (±1) K, pH 6.8 (±0.2), Details AEBSF is 4-(2-aminoethyl)-benzenesulfonyl fluoride.


#NameIsotope labelingTypeConcentration
1DNA Polymerase B[U-98% 13C; U-99% 15N; U-97% 2H; except V g-methyls, L d-methyls, I d-methyl, and labile protons.700 uM
2XRCC1 N-terminal Domain1.1 mM
3phosphate46 mM
4sodium chloride135 mM
5sodium azide0.002 %
6AEBSF100 uM
7dithiothreitol (DTT)5 mM
8H2O90 %
9D2O10 %

LACS Plot; CA
Referencing offset: 0.53 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 0.53 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.42 ppm, Outliers: 2 Detail
Release date
2005-06-01
Citation
Mapping of the interaction interface of DNA polymerase beta with XRCC1
Gryk, M.R., Marintchev, A., Maciejewski, M.W., Robertson, A., Wilson, S.H., Mullen, G.P.
Structure (2002), 10, 1709-1720, PubMed 12467578 , DOI: ,
Related entities 1. DNA Polymerase B, : 2 : 55 entities Detail
Related entities 2. XRCC1 N-terminal Domain, : 5 : 1 : 7 entities Detail
Interaction partners 1. DNA Polymerase B, : 1 interactors Detail
Experiments performed 7 experiments Detail
nullKeywords Rattus norvegicus, DNA polymerase B, TROSY, deuteration, DNA repair, XRCC1-NTD, X-ray cross-complementing group 1