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Found 1 Document (6.798 seconds)

BMRB: 17927

2LJA

Solution Structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus

Authors

Harris, R., Seidel, R.D., Hillerich, B., Gizzi, A., Kar, A., LaFleur, J., Chamala, S., Foti, R., Villegas, G., Evans, B., Zencheck, W., Girvin, M.E., Almo, S.C.

Assembly

putative thiol-disulfide oxidoreductase

Entity

1. putative thiol-disulfide oxidoreductase (polymer, Thiol state: all free), 152 monomers, 17155.44 Da Detail

MSLRSGNPSA ASFSYPDING KTVSLADLKG KYIYIDVWAT WCGPCRGELP ALKELEEKYA GKDIHFVSLS CDKNKKAWEN MVTKDQLKGI QLHMGTDRTF MDAYLINGIP RFILLDRDGK IISANMTRPS DPKTAEKFNE LLGLEGHHHH HH

Formula weight

17155.44 Da

Source organism

Phocaeicola vulgatus

Exptl. method

solution NMR

Refine. method

simulating annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 92.4 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.4 % (1651 of 1787)	91.6 % (854 of 932)	93.0 % (649 of 698)	94.3 % (148 of 157)
Backbone	96.1 % (863 of 898)	95.8 % (296 of 309)	97.1 % (431 of 444)	93.8 % (136 of 145)
Sidechain	89.8 % (924 of 1029)	89.6 % (558 of 623)	89.8 % (354 of 394)	100.0 % (12 of 12)
Aromatic	86.7 % (137 of 158)	87.3 % (69 of 79)	85.5 % (65 of 76)	100.0 % (3 of 3)
Methyl	98.7 % (148 of 150)	100.0 % (75 of 75)	97.3 % (73 of 75)

1. putative thiol-disulfide oxidoreductase

MSLRSGNPSA ASFSYPDING KTVSLADLKG KYIYIDVWAT WCGPCRGELP ALKELEEKYA GKDIHFVSLS CDKNKKAWEN MVTKDQLKGI QLHMGTDRTF MDAYLINGIP RFILLDRDGK IISANMTRPS DPKTAEKFNE LLGLEGHHHH HH

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD5.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
9	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	DTT	natural abundance	1 mM
13	EDTA	natural abundance	1 mM
14	D2O	[U-100% 2H]	100 %
15	DSS	natural abundance	0.2 mM

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: 0.07 ppm, Outliers: 3 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: 0.07 ppm, Outliers: 3 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: -0.06 ppm, Outliers: 3 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: -0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-10-09

Related entities 1. putative thiol-disulfide oxidoreductase, : 1 : 24 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 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

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 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

3 13C HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD5.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
9	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	DTT	natural abundance	1 mM
13	EDTA	natural abundance	1 mM
14	D2O	[U-100% 2H]	100 %
15	DSS	natural abundance	0.2 mM

4 aromatic 13C HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD5.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
9	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	DTT	natural abundance	1 mM
13	EDTA	natural abundance	1 mM
14	D2O	[U-100% 2H]	100 %
15	DSS	natural abundance	0.2 mM

5 13C NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD5.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
9	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	DTT	natural abundance	1 mM
13	EDTA	natural abundance	1 mM
14	D2O	[U-100% 2H]	100 %
15	DSS	natural abundance	0.2 mM

6 13C aromatic NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD5.4, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
9	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	DTT	natural abundance	1 mM
13	EDTA	natural abundance	1 mM
14	D2O	[U-100% 2H]	100 %
15	DSS	natural abundance	0.2 mM

7 HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

8 HNCACO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

9 HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

10 HNCOCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

11 HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

12 CBCACONH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA

#	Name	Isotope labeling	Concentration
1	putative thiol-disulfide oxidoreductase	[U-100% 13C; U-100% 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	D2O	[U-100% 2H]	10 %
7	DSS	natural abundance	0.2 mM
8	H2O	natural abundance	90 %

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

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Found 1 Document (6.798 seconds)

BMRB: 17927

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. putative thiol-disulfide oxidoreductase, : 1 : 24 entities Detail

Experiments performed 12 experiments Detail

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