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Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae
Authors
Edmonds, K.A., Fu, Y., Wu, H., Rued, B.E., Bruce, K.E., Winkler, M.E., Giedroc, D.P.
Assembly
Cell division protein FtsX
Entity
1. Cell division protein FtsX (polymer, Thiol state: not present), 126 monomers, 13998.27 Da Detail

GAMATAKLAT DIENNVRVVV YIRKDVEDNS QTIEKEGQTV TNNDYHKVYD SLKNMSTVKS VTFSSKEEQY EKLTEIMGDN WKIFEGDANP LYDAYIVEAN APNDVKTIAE DAKKIEGVSE VQDGGA


Formula weight
13998.27 Da
Source organism
Streptococcus pneumoniae D39
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
RDCs, assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 94.7 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All94.7 % (1349 of 1425)92.8 % (683 of 736)96.5 % (531 of 550)97.1 % (135 of 139)
Backbone96.3 % (724 of 752)94.9 % (244 of 257)96.5 % (358 of 371)98.4 % (122 of 124)
Sidechain93.6 % (741 of 792)91.6 % (439 of 479)97.0 % (289 of 298)86.7 % (13 of 15)
Aromatic96.4 % (81 of 84)97.6 % (41 of 42)95.1 % (39 of 41)100.0 % (1 of 1)
Methyl95.7 % (134 of 140)94.3 % (66 of 70)97.1 % (68 of 70)

1. entity 1

GAMATAKLAT DIENNVRVVV YIRKDVEDNS QTIEKEGQTV TNNDYHKVYD SLKNMSTVKS VTFSSKEEQY EKLTEIMGDN WKIFEGDANP LYDAYIVEAN APNDVKTIAE DAKKIEGVSE VQDGGA

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1FtsX extracellular loop 1[U-99% 13C; U-99% 15N]0.7 mM
2H2Onatural abundance90 %
3D2O[U-99% 2H]10 %
4potassium phosphatenatural abundance50 mM
5sodium chloridenatural abundance50 mM
6DSSnatural abundance0.2 mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.7 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 100 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 100% D2O


#NameIsotope labelingTypeConcentration
7FtsX extracellular loop 1[U-99% 13C; U-99% 15N]0.7 mM
8D2O[U-99% 2H]100 %
9potassium phosphatenatural abundance50 mM
10sodium chloridenatural abundance50 mM
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-99% 13C; U-99% 15N] FtsX extracellular loop 1, 90 % H2O, 10 % [U-99% 2H] D2O, 50 mM potassium phosphate, 50 mM sodium chloride, 0.2 mM DSS, 20 mg/mL Pf1 phage, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
11FtsX extracellular loop 1[U-99% 13C; U-99% 15N]0.4 mM
12H2Onatural abundance90 %
13D2O[U-99% 2H]10 %
14potassium phosphatenatural abundance50 mM
15sodium chloridenatural abundance50 mM
16DSSnatural abundance0.2 mM
17Pf1 phagenatural abundance20 mg/mL

LACS Plot; CA
Referencing offset: -0.08 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.08 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: 0.0 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.28 ppm, Outliers: 3 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 6MK7, Strand ID: A Detail


Heteronucl. T1
115 T1 values in 1 lists
Coherence Sz, Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.0 Detail
Heteronucl. T2
242 T2 values in 2 lists
Coherence S(+,-), Field strength (1H) 600 MHz, 800 MHz, Pressure 1 atm, Temperature 298 K, pH 7.0 Detail
Heteronucl. NOE
121 NOE values in 1 lists
Value type peak height, Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.0 Detail
Heteronucl. T1/T2
115 T1/T2 values in 1 lists
Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.0 Detail
RDC
121 RDC values in 1 lists
Field strength (1H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.0 Detail
Release date
2018-10-18
Citation
Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae
Rued, B.E., Alcorlo, M., Edmonds, K.A., Martinez-Caballero, S., Straume, D., Fu, Y., Bruce, K.E., Wu, H., Havarstein, L.S., Hermoso, J.A., Winkler, M.E., Giedroc, D.P.
MBio (2019), 10, e02622-e02622, PubMed 30696736 , DOI 10.1128/mBio.02622-18 ,
Related entities 1. Cell division protein FtsX, : 1 : 4 : 1 entities Detail
Experiments performed 24 experiments Detail
NMR combined restraints 5 contents Detail
Keywords CELL DIVISION, CELL WALL, MEMBRANE PROTEIN, PEPTIDOGLYCAN