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BMRB: 18823

6GMS

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

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS27:SG	1:CYS37:SG
2	disulfide	sing	1:CYS95:SG	1:CYS107:SG

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 84.8 %, Completeness (bb): 90.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.8 % (1208 of 1424)	85.4 % (621 of 727)	83.2 % (462 of 555)	88.0 % (125 of 142)
Backbone	90.5 % (708 of 782)	89.3 % (243 of 272)	91.1 % (349 of 383)	91.3 % (116 of 127)
Sidechain	80.3 % (611 of 761)	83.1 % (378 of 455)	77.0 % (224 of 291)	60.0 % (9 of 15)
Aromatic	37.7 % (40 of 106)	52.8 % (28 of 53)	19.6 % (10 of 51)	100.0 % (2 of 2)
Methyl	90.8 % (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

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	PpdD	[U-13C; U-15N]	0.9 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	D2O	natural abundance	15 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

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 , Abstract

Related entities 1. PpdD, : 3 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC