BMRB: 15963

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

Authors

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

Assembly

HasAp Full-Length polypeptide

Entity

1. HasAp Full-length polypeptide (polymer, Thiol state: not present), 205 monomers, 20902.67 Da Detail

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

2. HEM (non-polymer), 616.487 Da

Total weight

21519.156 Da

Max. entity weight

20902.67 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 48.1 %, Completeness (bb): 80.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	48.1 % (1028 of 2139)	23.7 % (254 of 1073)	68.4 % (583 of 852)	89.3 % (191 of 214)
Backbone	80.2 % (974 of 1214)	49.4 % (211 of 427)	97.5 % (575 of 590)	95.4 % (188 of 197)
Sidechain	20.7 % (229 of 1105)	6.7 % (43 of 646)	41.4 % (183 of 442)	17.6 % (3 of 17)
Aromatic	0.0 % (0 of 194)	0.0 % (0 of 97)	0.0 % (0 of 94)	0.0 % (0 of 3)
Methyl	16.0 % (39 of 244)	7.4 % (9 of 122)	24.6 % (30 of 122)

1. HasAp Full-length polypeptide

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

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Temperature 305 K, pH 7.0, Details The protein is in phosphate buffer (u=0.1).

#	Name	Isotope labeling	Type	Concentration
1	HasAp Full-length 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

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LACS Plot; CA

Referencing offset: -0.19 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.19 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.2 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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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

Related entities 1. HasAp Full-length polypeptide, : 1 : 32 : 20 entities Detail

Experiments performed 7 experiments Detail

Chemical shift validation 4 contents Detail