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Solution NMR Structure of a putative Uracil DNA glycosylase from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR76
Authors
Aramini, J.M., Hamilton, K., Ciccosanti, C.T., Wang, H., Lee, H., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T.
Assembly
MvR76
Entity
1. MvR76 (polymer, Thiol state: all free), 166 monomers, 19116.36 Da Detail

MIKRGFPAVL DENTEILILG SLPSDESIRK QQYYGNPGND FWRLVGHAIG ENLQDMAYEK KLKTLKHNRI GLWDVFKAGS REGSQDSKIG DEEINDFSGL KEMVPKLRLI CFNGRKAGEY EPLLRGMGYE TKVLPSSSGA NRRFSKNRES EWEAVFRHLE HHHHHH


Formula weight
19116.36 Da
Source organism
Methanosarcina acetivorans
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
RDCs, assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 97.6 %, Completeness: 92.5 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All92.5 % (1837 of 1986)92.2 % (965 of 1047)92.0 % (702 of 763)96.6 % (170 of 176)
Backbone95.5 % (940 of 984)95.9 % (328 of 342)95.0 % (458 of 482)96.2 % (154 of 160)
Sidechain90.0 % (1037 of 1152)89.6 % (632 of 705)90.3 % (389 of 431)100.0 % (16 of 16)
Aromatic74.2 % (135 of 182)74.7 % (68 of 91)72.7 % (64 of 88)100.0 % (3 of 3)
Methyl97.2 % (140 of 144)97.2 % (70 of 72)97.2 % (70 of 72)

1. MvR76

MIKRGFPAVL DENTEILILG SLPSDESIRK QQYYGNPGND FWRLVGHAIG ENLQDMAYEK KLKTLKHNRI GLWDVFKAGS REGSQDSKIG DEEINDFSGL KEMVPKLRLI CFNGRKAGEY EPLLRGMGYE TKVLPSSSGA NRRFSKNRES EWEAVFRHLE HHHHHH

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.94 mM [U-100% 13C; U-100% 15N] MvR76, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1MvR76[U-100% 13C; U-100% 15N]0.94 mM
2MESnatural abundance20 mM
3sodium chloridenatural abundance100 mM
4calcium chloridenatural abundance5 mM
5DTTnatural abundance10 mM
6sodium azidenatural abundance0.02 %
7DSSnatural abundance50 uM
8H2Onatural abundance90 %
9D2Onatural abundance10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.15 mM [U-5% 13C; U-100% 15N] MvR76, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
10MvR76[U-5% 13C; U-100% 15N]1.15 mM
11MESnatural abundance20 mM
12sodium chloridenatural abundance100 mM
13calcium chloridenatural abundance5 mM
14DTTnatural abundance10 mM
15sodium azidenatural abundance0.02 %
16DSSnatural abundance50 uM
17H2Onatural abundance90 %
18D2Onatural abundance10 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 15N MvR76 aligned in 4% C12E5 PEG


#NameIsotope labelingTypeConcentration
19MvR76[U-5% 13C; U-100% 15N]0.80 mM
20MESnatural abundance20 mM
21sodium chloridenatural abundance100 mM
22calcium chloridenatural abundance5 mM
23DTTnatural abundance10 mM
24sodium azidenatural abundance0.02 %
25DSSnatural abundance50 uM
26C12E5 PEGnatural abundance4 %
27H2Onatural abundance90 %
28D2Onatural abundance10 %
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 15N MvR76 aligned in 7% PAG


#NameIsotope labelingTypeConcentration
29MvR76[U-5% 13C; U-100% 15N]1.15 mM
30MESnatural abundance20 mM
31sodium chloridenatural abundance100 mM
32calcium chloridenatural abundance5 mM
33DTTnatural abundance10 mM
34sodium azidenatural abundance0.02 %
35DSSnatural abundance50 uM
36Polyacrylamide gelnatural abundance7 %
37H2Onatural abundance90 %
38D2Onatural abundance10 %

LACS Plot; CA
Referencing offset: -0.22 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.22 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.05 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.05 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2L3F, Strand ID: A Detail


RDC
210 RDC values in 2 lists
Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail
Release date
2011-10-09
Related entities 1. MvR76, : 1 : 3 entities Detail
Experiments performed 22 experiments Detail
nullKeywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-2, Protein NMR, Protein Structure Initiative, Structural Genomics, Target MvR76