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BMRB: 15962

3ELL

Backbone 1H, 13C, and 15N Chemical Shift Assignments for the heme bound form of Truncated HasAp.

Authors

Alontaga, A.Y., Rivera, M., Rodriguez, J.C.

Assembly

HasAp truncated polypeptide

Entity

1. HasAp truncated polypeptide (polymer, Thiol state: not present), 184 monomers, 18890.41 Da Detail

MSISISYSTT YSGWTVADYL ADWSAYFGDV NHRPGQVVDG SNTGGFNPGP FDGSQYALKS TASDAAFIAG GDLHYTLFSN PSHTLWGKLD SIALGDTLTG GASSGGYALD SQEVSFSNLG LDSPIAQGRD GTVHKVVYGL MSGDSSALQG QIDALLKAVD PSLSINSTFD QLAAAGVAHA TPAA

2. HEM (non-polymer), 616.487 Da

Total weight

19506.896 Da

Max. entity weight

18890.41 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 48.9 %, Completeness (bb): 80.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.9 % (944 of 1931)	24.9 % (242 of 971)	69.0 % (529 of 767)	89.6 % (173 of 193)
Backbone	80.3 % (875 of 1090)	49.5 % (190 of 384)	97.2 % (514 of 529)	96.6 % (171 of 177)
Sidechain	22.5 % (225 of 1002)	8.9 % (52 of 587)	42.9 % (171 of 399)	12.5 % (2 of 16)
Aromatic	5.3 % (10 of 190)	5.3 % (5 of 95)	5.4 % (5 of 92)	0.0 % (0 of 3)
Methyl	19.1 % (39 of 204)	10.8 % (11 of 102)	27.5 % (28 of 102)

1. HasAp truncated polypeptide

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Temperature 305 K, pH 7.0, Details The protein is in phosphate buffer of 0.1M ionic strength, pH 7.0.

#	Name	Isotope labeling	Concentration
1	HasAp truncated polypeptide	[U-99% 13C; U-99% 15N]	2.80 mM
2	sodium phosphate	natural abundance	46.4 mM
3	D2O	[U-99% 2H]	5 %
4	H2O	natural abundance	95 %
5	PROTOPORPHYRIN IX CONTAINING FE	natural abundance	2.8 mM

LACS Plot; CA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.09 ppm, Outliers: 1 Detail

Release date

2009-01-19

Citation

Structural characterization of the hemophore HasAp from Pseudomonas aeruginosa: NMR spectroscopy reveals protein-protein interactions between Holo-HasAp and hemoglobin
Alontaga, A.Y., Rodriguez, J.C., Schonbrunn, E., Becker, A., Funke, T., Yukl, E.T., Hayashi, T., Stobaugh, J.T., Moenne-Loccoz, P., Rivera, M.
Biochemistry (2009), 48, 96-109, PubMed 19072037 , DOI 10.1021/bi801860g , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 15963 released on 2009-01-19
Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for the heme bound form of Full-Length HasAp.