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Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting, NESG target SfR339/OCSP target sf3636
Authors
Wu, B., Lemak, A., Yee, A., Lee, H., Gutmanas, A., Semesi, A., Garcia, M., Fang, X., Wang, Y., Prestegard, J.H., Arrowsmith, C.H.
Assembly
sf3636
Entity
1. sf3636 (polymer, Thiol state: not present), 120 monomers, 13726.86 Da Detail

MKEVEKNEIK RLSDRLDAIR HQQADLSLVE AADKYAELEK EKATLEAEIA RLREVHSQKL SKEAQKLMKM PFQRAITKKE QADMGKLKKS VRGLVVVHPM TALGREMGLE EMTGFSKTTF


Formula weight
13726.86 Da
Source organism
Shigella flexneri 2a
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.3 %, Completeness: 96.2 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All96.2 % (1389 of 1444)96.7 % (740 of 765)95.5 % (529 of 554)96.0 % (120 of 125)
Backbone96.8 % (693 of 716)97.1 % (236 of 243)96.9 % (344 of 355)95.8 % (113 of 118)
Sidechain96.0 % (809 of 843)96.6 % (504 of 522)94.9 % (298 of 314)100.0 % (7 of 7)
Aromatic76.0 % (38 of 50)92.0 % (23 of 25)60.0 % (15 of 25)
Methyl97.0 % (128 of 132)97.0 % (64 of 66)97.0 % (64 of 66)

1. sf3636

MKEVEKNEIK RLSDRLDAIR HQQADLSLVE AADKYAELEK EKATLEAEIA RLREVHSQKL SKEAQKLMKM PFQRAITKKE QADMGKLKKS VRGLVVVHPM TALGREMGLE EMTGFSKTTF

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
1sf3636[U-100% 13C; U-100% 15N]0.7 mM
2TRIS[U-100% 2H]10 mM
3sodium chloridenatural abundance300 mM
4zinc sulphatenatural abundance10 uM
5DTT[U-100% 2H]10 mM
6NaN3natural abundance0.01 %
7benzamidinenatural abundance10 mM
8inhibitor cocktailnatural abundance1 na
9H2Onatural abundance90 %
10D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
11sf3636[U-100% 13C; U-100% 15N]0.5 mM
12TRIS[U-100% 2H]10 mM
13sodium chloridenatural abundance300 mM
14zinc sulphatenatural abundance10 uM
15DTT[U-100% 2H]10 mM
16NaN3natural abundance0.01 %
17benzamidinenatural abundance10 mM
18inhibitor cocktailnatural abundance1 na
19D2Onatural abundance100 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
20sf3636[U-7% 13C; U-100% 15N]0.5 mM
21TRIS[U-100% 2H]10 mM
22sodium chloridenatural abundance300 mM
23zinc sulphatenatural abundance10 uM
24DTT[U-100% 2H]10 mM
25NaN3natural abundance0.01 %
26benzamidinenatural abundance10 mM
27inhibitor cocktailnatural abundance1 na
28H2Onatural abundance90 %
29D2Onatural abundance10 %

LACS Plot; CA
Referencing offset: -0.03 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.03 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.04 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: -0.14 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LF0, Strand ID: A Detail


Release date
2011-07-17
Citation
Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scatting
Wu, B., Lemak, A., Yee, A., Lee, H., Gutmanas, A., Semesi, A., Garcia, M., Fang, X., Wang, Y., Prestegard, J.H., Arrowsmith, C.H.
Not known
Related entities 1. sf3636, : 1 : 3 entities Detail
Experiments performed 12 experiments Detail
NMR combined restraints 8 contents Detail
Keywords two-domain protein