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1H, 13C and 15N resonance assignments of the C-terminal domain of PpdD
Authors
Amorim, G.C., Cisneros, D.A., Delepierre, M., Francetic, O., Izadi-Pruneyre, N.
Assembly
PpdD
Entity
1. PpdD (polymer, Thiol state: all disulfide bound), 132 monomers, 14226.67 Da Detail

MENYLRKAAL TDMLQTFVPY RTAVELCALE HGGLDTCDGG SNGIPSPTTT RYVSAMSVAK GVVSLTGQES LNGLSVVMTP GWDNANGVTG WARNCNIQSD SALQQACEDV FRFDDANLVP RGSGLEHHHH HH


Formula weight
14226.67 Da
Entity Connection
disulfide 2 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS27:SG1:CYS37:SG
2disulfidesing1:CYS95:SG1:CYS107:SG

Source organism
Escherichia coli
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 95.5 %, Completeness: 84.9 %, Completeness (bb): 90.6 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All84.9 % (1214 of 1430)86.1 % (626 of 727)83.2 % (462 of 555)85.1 % (126 of 148)
Backbone90.6 % (697 of 769)89.6 % (232 of 259)91.1 % (349 of 383)91.3 % (116 of 127)
Sidechain80.6 % (629 of 780)84.2 % (394 of 468)77.3 % (225 of 291)47.6 % (10 of 21)
Aromatic37.7 % (40 of 106)52.8 % (28 of 53)19.6 % (10 of 51)100.0 % (2 of 2)
Methyl90.8 % (129 of 142)94.4 % (67 of 71)87.3 % (62 of 71)

1. PpdD

MENYLRKAAL TDMLQTFVPY RTAVELCALE HGGLDTCDGG SNGIPSPTTT RYVSAMSVAK GVVSLTGQES LNGLSVVMTP GWDNANGVTG WARNCNIQSD SALQQACEDV FRFDDANLVP RGSGLEHHHH HH

Sample

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


#NameIsotope labelingTypeConcentration
1PpdD[U-13C; U-15N]0.9 mM
2sodium phosphatenatural abundance50 mM
3sodium chloridenatural abundance50 mM
4D2Onatural abundance15 %

LACS Plot; CA
Referencing offset: -0.01 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: -0.01 ppm, Outliers: 3 Detail
LACS Plot; HA
Referencing offset: -0.07 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.19 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 6GMS, Strand ID: A Detail


Release date
2013-01-28
Citation
¹H, ¹⁵N and ¹³C resonance assignments of PpdD, a type IV pilin from enterohemorrhagic Escherichia coli
Amorim, G.C., Cisneros, D.A., Delepierre, M., Francetic, O., Izadi-Pruneyre, N.
Biomol. NMR Assign. (2014), 8, 43-46, PubMed 23242787 , DOI 10.1007/s12104-012-9449-z ,
Related entities 1. PpdD, : 2 entities Detail
Experiments performed 8 experiments Detail