BMRB: 4023

1H, 13C and 15N Resonance Assignments for the Z Domain of Staphylococcal Protein A at pH* 6.5 and Temperature of 30 deg. C

Authors

Tashiro, M., Tejero, R., Zimmerman, D.E., Celda, B., Nilsson, B., Montelione, G.T.

Assembly

staphylococcal protein A Z domain

Entity

1. staphylococcal protein A Z domain (polymer, Thiol state: not present), 71 monomers, 8077.847 Da Detail

KAIFVLNAQH DEAVDNKFNK EQQNAFYEIL HLPNLNEEQR NAFIQSLKDD PSQSANLLAE AKKLNDAQAP K

Formula weight

8077.847 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING WITH RESTRAINED MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.2 %, Completeness (bb): 99.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	98.2 % (840 of 855)	98.7 % (445 of 451)	97.8 % (313 of 320)	97.6 % (82 of 84)
Backbone	99.5 % (418 of 420)	99.3 % (138 of 139)	100.0 % (213 of 213)	98.5 % (67 of 68)
Sidechain	97.4 % (493 of 506)	98.4 % (307 of 312)	96.1 % (171 of 178)	93.8 % (15 of 16)
Aromatic	82.1 % (46 of 56)	89.3 % (25 of 28)	75.0 % (21 of 28)
Methyl	100.0 % (72 of 72)	100.0 % (36 of 36)	100.0 % (36 of 36)

1. staphylococcal protein A Z domain

KAIFVLNAQH DEAVDNKFNK EQQNAFYEIL HLPNLNEEQR NAFIQSLKDD PSQSANLLAE AKKLNDAQAP K

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Sample

Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	staphylococcal protein A Z domain			0.0 ~ 0.0 mM

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LACS Plot; CA

Referencing offset: 0.46 ppm, Outliers: 1 Detail

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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	null	null	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.46 ppm, Outliers: 1 Detail

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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	null	null	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 2 Detail

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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	null	null	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.87 ppm, Outliers: 1 Detail

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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	null	null	0.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 10 models in PDB: 2SPZ, Strand ID: A Detail

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Release date

2001-02-15

Citation

High-resolution solution NMR structure of the Z domain of staphylococcal protein A
Tashiro, M., Tejero, R., Zimmerman, D.E., Celda, B., Nilsson, B., Montelione, G.T.
J. Mol. Biol. (1997), 272, 573-590, PubMed 9325113 , DOI 10.1006/jmbi.1997.1265 , Abstract

Related entities 1. staphylococcal protein A Z domain, : 1 : 86 : 69 entities Detail

Interaction partners 1. staphylococcal protein A Z domain, : 1 interactors Detail

Experiments performed 1 experiments Detail