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Found 1 Document (1.943 seconds)

BMRB: 5879

1Q5F

Structure of a Type IVb pilin from Salmonella typhi and its assembly into pilus

Authors

Xu, X., Tan, Y., Hackett, J.A., Zhang, M., Mok, Y.

Assembly

S.typhi type IVb pilin

Entity

1. S.typhi type IVb pilin (polymer, Thiol state: all disulfide bound), 156 monomers, 15831.33 Da Detail

MWGKKDAGTE LTNYQTLATN TIGMMKGVDG YAFTSGAKMT DTLIQAGAAK GMTVSGDPAS GSATLWNSWG GQIVVAPDTA GGTGFNNGFT ITTNKVPQSA CVSISTGMSR SGGTSGIKIN GNNHTDAKVT AEIASSECTA DNGRTGTNTL VFNYNG

Formula weight

15831.33 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS101:SG	1:CYS138:SG

Source organism

Salmonella enterica subsp. enterica serovar Typhi

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.5 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.5 % (1412 of 1613)	86.9 % (709 of 816)	88.8 % (554 of 624)	86.1 % (149 of 173)
Backbone	97.0 % (902 of 930)	97.0 % (323 of 333)	97.3 % (432 of 444)	96.1 % (147 of 153)
Sidechain	78.3 % (638 of 815)	79.9 % (386 of 483)	80.1 % (250 of 312)	10.0 % (2 of 20)
Aromatic	5.8 % (6 of 104)	9.6 % (5 of 52)	0.0 % (0 of 49)	33.3 % (1 of 3)
Methyl	98.8 % (160 of 162)	100.0 % (81 of 81)	97.5 % (79 of 81)

1. S. typhi PilS

MWGKKDAGTE LTNYQTLATN TIGMMKGVDG YAFTSGAKMT DTLIQAGAAK GMTVSGDPAS GSATLWNSWG GQIVVAPDTA GGTGFNNGFT ITTNKVPQSA CVSISTGMSR SGGTSGIKIN GNNHTDAKVT AEIASSECTA DNGRTGTNTL VFNYNG

Show sample condition

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

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: -0.06 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: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

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: 4 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: 1.5 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 1Q5F, Strand ID: A Detail

Release date

2003-07-22

Citation

NMR structure of a type IVb pilin from Salmonella typhi and its assembly into pilus
Xu, X., Tan, Y., Lam, L., Hackett, J.A., Zhang, M., Mok, Y.
J. Biol. Chem. (2004), 279, 31599-31605, PubMed 15159389 , DOI 10.1074/jbc.M404727200 , Abstract

Related entities 1. S.typhi type IVb pilin, : 1 : 2 entities Detail

Experiments performed 9 experiments Detail

1 1H-15N HSQC

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

2 HNCACB

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

3 CBCA(CO)NH

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

4 HNCO

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

5 HN(CA)CO

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

6 CC(C0)NH

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

7 H(CCO)NH

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

8 HCCH-TOCSY

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

9 1H-13C CT HSQC

Instrument

#1 Model Bruker DRX (500 MHz) Details Eqipped with cryoprobe

#2 Model Varian Inova (750 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	S. typhi PilS	[U-99% 13C; U-99% 15N]	1.0 mM
2	phosphate buffer		50 mM
3	Na2SO4		0.5 M

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	S. typhi PilS	[U-99% 15N]	1.0 mM
5	phosphate buffer		50 mM
6	Na2SO4		0.5 M

Sample #3

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
7	S. typhi PilS	[U-10% 13C]	1.0 mM
8	phosphate buffer		50 mM
9	Na2SO4		0.5 M

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Found 1 Document (1.943 seconds)

BMRB: 5879

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. S.typhi type IVb pilin, : 1 : 2 entities Detail

Experiments performed 9 experiments Detail

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