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Found 1 Document (0.976 seconds)

BMRB: 18411

2LS5

Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron

Authors

Harris, R., Bandaranayake, A.D., Banu, R., Bonanno, J.B., Calarese, D.A., Celikgil, A., Chamala, S., Chan, M.K., Chaparro, R., Evans, B., Garforth, S., Gizzi, A., Hillerich, B., Kar, A., Lafleur, J., Lim, S., Love, J., Matikainen, B., Patel, H., Seidel, R.D., Smith, B., Stead, M., Girvin, M.E., Almo, S.C.

Assembly

putative protein disulfide isomerase

Entity

1. putative protein disulfide isomerase (polymer, Thiol state: all free), 159 monomers, 17995.60 Da Detail

MSLGYIVRIG EMAPDFTITL TDGKQVTLSS LRGKVVMLQF TASWCGVCRK EMPFIEKDIW LKHKDNADFA LIGIDRDEPL EKVLAFAKST GVTYPLGLDP GADIFAKYAL RDAGITRNVL IDREGKIVKL TRLYNEEEFA SLVQQINEML KEGHHHHHH

Formula weight

17995.6 Da

Source organism

Bacteroides thetaiotaomicron

Exptl. method

solution NMR

Refine. method

simulating annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.9 %, Completeness: 92.7 %, Completeness (bb): 92.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.7 % (1745 of 1882)	92.6 % (903 of 975)	93.3 % (693 of 743)	90.9 % (149 of 164)
Backbone	92.7 % (875 of 944)	92.9 % (302 of 325)	93.1 % (433 of 465)	90.9 % (140 of 154)
Sidechain	93.1 % (1010 of 1085)	92.5 % (601 of 650)	94.1 % (400 of 425)	90.0 % (9 of 10)
Aromatic	89.0 % (137 of 154)	89.6 % (69 of 77)	88.0 % (66 of 75)	100.0 % (2 of 2)
Methyl	100.0 % (196 of 196)	100.0 % (98 of 98)	100.0 % (98 of 98)

1. putative protein disulfide isomerase

MSLGYIVRIG EMAPDFTITL TDGKQVTLSS LRGKVVMLQF TASWCGVCRK EMPFIEKDIW LKHKDNADFA LIGIDRDEPL EKVLAFAKST GVTYPLGLDP GADIFAKYAL RDAGITRNVL IDREGKIVKL TRLYNEEEFA SLVQQINEML KEGHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
8	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	DTT	natural abundance	1 mM
12	EDTA	natural abundance	1 mM
13	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.16 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LS5, Strand ID: A Detail

Release date

2012-05-21

Related entities 1. putative protein disulfide isomerase, : 1 : 44 entities Detail

Experiments performed 12 experiments Detail

1 15N HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

2 15N NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

3 13C CT-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
8	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	DTT	natural abundance	1 mM
12	EDTA	natural abundance	1 mM
13	D2O	natural abundance	100 %

4 aromatic 13C CT-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
8	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	DTT	natural abundance	1 mM
12	EDTA	natural abundance	1 mM
13	D2O	natural abundance	100 %

5 13C NOESY-HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
8	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	DTT	natural abundance	1 mM
12	EDTA	natural abundance	1 mM
13	D2O	natural abundance	100 %

6 13C aromatic NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
8	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	DTT	natural abundance	1 mM
12	EDTA	natural abundance	1 mM
13	D2O	natural abundance	100 %

7 HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

8 HNCACO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

9 HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

10 HNCOCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

11 HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

12 CBCACONH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4, Details 20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative protein disulfide isomerase	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

nullKeywords New York Structural Genomics Research Consortium, STRUCTURAL GENOMICS, THIOREDOXIN-LIKE, UNKNOWN FUNCTION

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Found 1 Document (0.976 seconds)

BMRB: 18411

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. putative protein disulfide isomerase, : 1 : 44 entities Detail

Experiments performed 12 experiments Detail

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