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Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans
Authors
Morris, V.K., Kwan, A.H., Mackay, J.P., Sunde, M.
Assembly
DewA
Entity
1. DewA (polymer, Thiol state: all disulfide bound), 118 monomers, 11450.76 Da Detail

SLPASAAKNA KLATSAAFAK QAEGTTCNVG SIACCNSPAE TNNDSLLSGL LGAGLLNGLS GNTGSACAKA SLIDQLGLLA LVDHTEEGPV CKNIVACCPE GTTNCVAVDN AGAGTKAE


Formula weight
11450.76 Da
Entity Connection
disulfide 4 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS27:SG1:CYS97:SG
2disulfidesing1:CYS34:SG1:CYS91:SG
3disulfidesing1:CYS35:SG1:CYS67:SG
4disulfidesing1:CYS105:SG1:CYS98:SG

Source organism
Aspergillus nidulans
Exptl. method
solution NMR
Refine. method
simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 100.0 %, Completeness: 98.1 %, Completeness (bb): 99.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All98.1 % (1148 of 1170)98.5 % (581 of 590)97.4 % (442 of 454)99.2 % (125 of 126)
Backbone99.0 % (693 of 700)99.2 % (243 of 245)98.5 % (336 of 341)100.0 % (114 of 114)
Sidechain97.2 % (559 of 575)98.0 % (338 of 345)96.3 % (210 of 218)91.7 % (11 of 12)
Aromatic50.0 % (7 of 14)100.0 % (7 of 7) 0.0 % (0 of 7)
Methyl98.7 % (150 of 152)97.4 % (74 of 76)100.0 % (76 of 76)

1. DewA

SLPASAAKNA KLATSAAFAK QAEGTTCNVG SIACCNSPAE TNNDSLLSGL LGAGLLNGLS GNTGSACAKA SLIDQLGLLA LVDHTEEGPV CKNIVACCPE GTTNCVAVDN AGAGTKAE

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
1DewA[U-99% 15N]300.0 ~ 500.0 uM
2DSSnatural abundance0.1 mM
3sodium acetatenatural abundance20 mM
4H20natural abundance95 %
5D20natural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
6DewA[U-98% 13C; U-98% 15N]300.0 ~ 500.0 uM
7DSSnatural abundance0.1 mM
8sodium acetatenatural abundance20 mM
9H20natural abundance95 %
10D20natural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
11DewA[U-98% 13C; U-98% 15N]300.0 ~ 500.0 uM
12DSSnatural abundance0.1 mM
13sodium acetatenatural abundance20 mM
14H20natural abundance95 %
15D20natural abundance5 %
Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
16DewA[U-98% 13C; U-98% 15N]300.0 ~ 500.0 uM
17DSSnatural abundance0.1 mM
18sodium acetatenatural abundance20 mM
19H20natural abundance95 %
20D20natural abundance5 %

Chem. Shift Complete2
Sequence coverage: 98.3 %, Completeness: 94.8 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All94.8 % (2219 of 2340)94.7 % (1117 of 1180)95.3 % (865 of 908)94.0 % (237 of 252)
Backbone96.8 % (1355 of 1400)97.1 % (476 of 490)96.8 % (660 of 682)96.1 % (219 of 228)
Sidechain93.0 % (1069 of 1150)92.9 % (641 of 690)94.0 % (410 of 436)75.0 % (18 of 24)
Aromatic32.1 % (9 of 28)64.3 % (9 of 14) 0.0 % (0 of 14)
Methyl96.1 % (292 of 304)94.1 % (143 of 152)98.0 % (149 of 152)

1. DewA

SLPASAAKNA KLATSAAFAK QAEGTTCNVG SIACCNSPAE TNNDSLLSGL LGAGLLNGLS GNTGSACAKA SLIDQLGLLA LVDHTEEGPV CKNIVACCPE GTTNCVAVDN AGAGTKAE

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
1DewA[U-99% 15N]300.0 ~ 500.0 uM
2DSSnatural abundance0.1 mM
3sodium acetatenatural abundance20 mM
4H20natural abundance95 %
5D20natural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
6DewA[U-98% 13C; U-98% 15N]300.0 ~ 500.0 uM
7DSSnatural abundance0.1 mM
8sodium acetatenatural abundance20 mM
9H20natural abundance95 %
10D20natural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
11DewA[U-98% 13C; U-98% 15N]300.0 ~ 500.0 uM
12DSSnatural abundance0.1 mM
13sodium acetatenatural abundance20 mM
14H20natural abundance95 %
15D20natural abundance5 %
Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
16DewA[U-98% 13C; U-98% 15N]300.0 ~ 500.0 uM
17DSSnatural abundance0.1 mM
18sodium acetatenatural abundance20 mM
19H20natural abundance95 %
20D20natural abundance5 %

LACS Plot; CA
Referencing offset: 2.34 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: 2.34 ppm, Outliers: 3 Detail
LACS Plot; HA
Referencing offset: -0.02 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.08 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LSH, Strand ID: A Detail


Release date
2011-08-18
Citation
Backbone and sidechain ¹H, ¹³C and ¹⁵N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans
Morris, V.K., Kwan, A.H., Mackay, J.P., Sunde, M.
Biomol. NMR Assign. (2012), 6, 83-86, PubMed 21845363 , DOI 10.1007/s12104-011-9330-5 ,
Related entities 1. DewA, : 1 : 1 entities Detail
Experiments performed 13 experiments Detail
NMR combined restraints 4 contents Detail