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Solution NMR Structure of the N-terminal domain of protein PG_0361 from P.gingivalis, Northeast Structural Genomics Consortium Target Target PgR37A
Authors
Eletsky, A., Mills, J.L., Lee, D., Ciccosanti, C., Hamilton, K.B., Acton, T.B., Xiao, R.B., Everett, J.K., Montelione, G.T., Szyperski, T.
Assembly
PgR37A
Entity
1. PgR37A (polymer, Thiol state: not present), 157 monomers, 17522.57 Da Detail

MRVYKPEDVP NVQLADSTRL VTDEAGLLSN AQEEVMNGRL RAIRSSHAVE FAVVTLPSIG DAPLEDFTLK LARQWGVGNE KNNNGLLLVL VLDQRRVRFE TGYGLEGYLP DGLLSRIIHD RMIPHFRSGN YAEGLSEGVL AVQQVLDGSL EHHHHHH


Formula weight
17522.57 Da
Source organism
Porphyromonas gingivalis
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 97.5 %, Completeness: 95.3 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All95.3 % (1711 of 1796)95.2 % (884 of 929)95.6 % (670 of 701)94.6 % (157 of 166)
Backbone95.5 % (888 of 930)95.7 % (308 of 322)95.8 % (438 of 457)94.0 % (142 of 151)
Sidechain95.3 % (962 of 1009)94.9 % (576 of 607)95.9 % (371 of 387)100.0 % (15 of 15)
Aromatic80.8 % (97 of 120)81.7 % (49 of 60)79.7 % (47 of 59)100.0 % (1 of 1)
Methyl99.0 % (196 of 198)98.0 % (97 of 99)100.0 % (99 of 99)

1. PgR37A

MRVYKPEDVP NVQLADSTRL VTDEAGLLSN AQEEVMNGRL RAIRSSHAVE FAVVTLPSIG DAPLEDFTLK LARQWGVGNE KNNNGLLLVL VLDQRRVRFE TGYGLEGYLP DGLLSRIIHD RMIPHFRSGN YAEGLSEGVL AVQQVLDGSL EHHHHHH

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.8 mM [U-100% 13C; U-100% 15N] PgR37A, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1PgR37A[U-100% 13C; U-100% 15N]0.8 mM
2MESnatural abundance20 mM
3sodium chloridenatural abundance100 mM
4calcium chloridenatural abundance5 mM
5sodium azidenatural abundance0.02 %
6DSSnatural abundance50 uM
7H2Onatural abundance95 %
8D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.8 mM [U-5% 13C; U-100% 15N] PgR37A, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
9PgR37A[U-5% 13C; U-100% 15N]0.8 mM
10MESnatural abundance20 mM
11sodium chloridenatural abundance100 mM
12calcium chloridenatural abundance5 mM
13sodium azidenatural abundance0.02 %
14DSSnatural abundance50 uM
15H2Onatural abundance95 %
16D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: 0.21 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: 0.21 ppm, Outliers: 3 Detail
LACS Plot; HA
Referencing offset: -0.05 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: -0.03 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2KW7, Strand ID: A Detail


Release date
2010-04-27
Related entities 1. PgR37A, : 1 : 6 entities Detail
Experiments performed 14 experiments Detail
NMR combined restraints 6 contents Detail
Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-2, Protein NMR, Protein Structure Initiative, Structural Genomics, Target PgR37A