BMRB: 16770

NMR solution structure of a soluble PrgI mutant from Salmonella Typhimurium

Authors

Schmidt, H., Poyraz, O., Seidel, K., Delissen, F., Ader, C., Tenenboim, H., Goosmann, C., Laube, B., Thuenemann, A.F., Zychlinski, A., Baldus, M., Lange, A., Griesinger, C., Kolbe, M.

Assembly

PrgI mutant

Entity

1. PrgI mutant (polymer, Thiol state: not present), 83 monomers, 9081.964 Da Detail

GSHMATPWSG YLDDVSAKFD TGVDNLQTQV TEALDKLAAK PSDPALLAAY QSKLSEYNLY RNAQSNTAKA FKDIDAAIIQ NFR

Formula weight

9081.964 Da

Source organism

Salmonella enterica

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.8 %, Completeness (bb): 97.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.8 % (890 of 939)	96.3 % (465 of 483)	92.3 % (337 of 365)	96.7 % (88 of 91)
Backbone	97.6 % (480 of 492)	97.6 % (162 of 166)	98.0 % (241 of 246)	96.2 % (77 of 80)
Sidechain	93.0 % (490 of 527)	95.6 % (303 of 317)	88.4 % (176 of 199)	100.0 % (11 of 11)
Aromatic	59.0 % (46 of 78)	76.9 % (30 of 39)	39.5 % (15 of 38)	100.0 % (1 of 1)
Methyl	97.8 % (90 of 92)	95.7 % (44 of 46)	100.0 % (46 of 46)

1. PrgI

GSHMATPWSG YLDDVSAKFD TGVDNLQTQV TEALDKLAAK PSDPALLAAY QSKLSEYNLY RNAQSNTAKA FKDIDAAIIQ NFR

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 283 K, pH 5.5, Details 0.3 mM PrgI* 20 mM MES 20 mM NaCl pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	PrgI*	[U-100% 15N]		0.3 mM
2	MES	natural abundance		20 mM
3	NaCl	natural abundance		20 mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 283 K, pH 5.5, Details 0.3 mM PrgI* 20 mM MES 20 mM NaCl pH 5.5

#	Name	Isotope labeling	Type	Concentration
4	PrgI*	[U-100% 13C; U-100% 15N]		0.3 mM
5	MES	natural abundance		20 mM
6	NaCl	natural abundance		20 mM

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 283 K, pH 5.5, Details 0.3 mM PrgI* 20 mM MES 20 mM NaCl pH 5.5 18mg/ml pf1 phages

#	Name	Isotope labeling	Type	Concentration
7	PrgI*	[U-100% 15N]		0.3 mM
8	MES	natural abundance		20 mM
9	NaCl	natural abundance		20 mM

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LACS Plot; CA

Referencing offset: 0.11 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	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.11 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	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.14 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	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.45 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	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 25 models in PDB: 2KV7, Strand ID: A Detail

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Release date

2010-07-26

Citation

Protein refolding is required for assembly of the type three secretion needle
Poyraz, O., Schmidt, H., Seidel, K., Delissen, F., Ader, C., Tenenboim, H., Goosmann, C., Laube, B., Thunemann, A.F., Zychlinsky, A., Baldus, M., Lange, A., Griesinger, C., Kolbe, M.
Nat. Struct. Mol. Biol. (2010), 17, 788-792, PubMed 20543831 , DOI 10.1038/nsmb.1822 , Abstract

Related entities 1. PrgI mutant, : 1 : 1 : 26 : 22 entities Detail

Interaction partners 1. PrgI mutant, : 3 interactors Detail

Experiments performed 14 experiments Detail