BMRBj - BMREntryMaster

Found 1 Document (0.72 seconds)

BMRB: 16052

2KLN

Assignment of 1HN, 13C, and 15N chemical shift resonances for the STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis

Authors

Sharma, A.K., Ye, L., Zolotarev, A.S., Alper, S.L., Rigby, A.C.

Assembly

STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis

Entity

1. STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis (polymer, Thiol state: all free), 130 monomers, 15067.95 Da Detail

MHDIDDYPQA KRVPGLVVYR YDAPLCFANA EDFRRRALTV VDQDPGQVEW FVLNAESNVE VDLTALDALD QLRTELLRRG IVFAMARVKQ DLRESLRAAS LLDKIGEDHI FMTLPTAVQA FRRRHHHHHH

Formula weight

15067.95 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.6 %, Completeness: 88.6 %, Completeness (bb): 92.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.6 % (1353 of 1527)	90.4 % (715 of 791)	85.5 % (514 of 601)	91.9 % (124 of 135)
Backbone	92.6 % (713 of 770)	92.3 % (239 of 259)	93.3 % (360 of 386)	91.2 % (114 of 125)
Sidechain	86.0 % (759 of 883)	89.5 % (476 of 532)	80.1 % (273 of 341)	100.0 % (10 of 10)
Aromatic	38.3 % (49 of 128)	67.2 % (43 of 64)	7.9 % (5 of 63)	100.0 % (1 of 1)
Methyl	100.0 % (162 of 162)	100.0 % (81 of 81)	100.0 % (81 of 81)

1. STAS domain of Rv1739C

MHDIDDYPQA KRVPGLVVYR YDAPLCFANA EDFRRRALTV VDQDPGQVEW FVLNAESNVE VDLTALDALD QLRTELLRRG IVFAMARVKQ DLRESLRAAS LLDKIGEDHI FMTLPTAVQA FRRRHHHHHH

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.2, Details Sample of STAS domain consists of 50mM sodium phosphate, 275mM NaCl, pH7.2, 2mMDTT-d10, 0.25mM DSS, and 0.05% (w/v) NaN3.

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

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: -0.21 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: -0.21 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: 0.04 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: 0.43 ppm, Outliers: 1 Detail

Release date

2009-03-22

Citation

NMR assignment and secondary structure of the STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis
Sharma, A.K., Ye, L., Zolotarev, A.S., Alper, S.L., Rigby, A.C.
Biomol. NMR Assign. (2009), 3, 99-102, PubMed 19636956 , DOI 10.1007/s12104-009-9150-z , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P9WGF7 released on 2014-04-16
Title Y1739_MYCTU Entity Probable sulfate transporter Rv1739c

Related entities 1. STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis, : 1 : 3 : 93 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz Bruker Avance DRX-600 NMR Spectrometer is equipped with a 14.1 Tesla 5.2 cm bore Bruker Ultra Shield magnet (reduced stray field), triple resonance 5mm probe with triple axis gradients

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.2, Details Sample of STAS domain consists of 50mM sodium phosphate, 275mM NaCl, pH7.2, 2mMDTT-d10, 0.25mM DSS, and 0.05% (w/v) NaN3.

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

2 3D HNCACB

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

3 3D HN(CO)CACB

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

4 3D C(CO)NH

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

5 3D HNCA

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

6 3D HN(CO)CA

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

7 3D HNCO

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

8 3D HN(CA)CO

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

9 3D 1H-15N NOESY

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

10 2D 1H-1H NOESY

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

11 3D HC(CO)NH, HCCH-TOCSY

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

12 15N-TOCSY-HSQC

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

13 1H-13C NOESY

Instrument

Sample

#	Name	Isotope labeling	Concentration
1	STAS domain of Rv1739C	[U-100% 13C; U-100% 15N]	0.6 ~ 0.8 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	275 mM
4	DTT-d10	natural abundance	2 mM
5	DSS	natural abundance	0.25 mM
6	sodium azide	natural abundance	0.05 % w/v

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16052_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr16052_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1506		94.6 (chain: 1, length: 130)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 130, Sequence coverage: 94.6%
- Total number of assignments
  - ¹H chemical shifts: 875
  - ¹³C chemical shifts: 509
  - ¹⁵N chemical shifts: 122
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	84	83	98.8
¹³C chemical shifts	84	82	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	791	709	89.6
¹³C chemical shifts	601	509	84.7
¹⁵N chemical shifts	149	122	81.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	259	239	92.3
¹³C chemical shifts	260	241	92.7
¹⁵N chemical shifts	125	112	89.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	532	470	88.3
¹³C chemical shifts	341	268	78.6
¹⁵N chemical shifts	24	10	41.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	64	37	57.8
¹³C chemical shifts	63	0	0.0
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (0.72 seconds)

BMRB: 16052

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. STAS domain of Rv1739c, a putative sulfate transporter of Mycobacterium tuberculosis, : 1 : 3 : 93 entities Detail

Experiments performed 13 experiments Detail

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Chemical shift validation 3 contents Detail