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BMRB: 30399

6CAH

NMR-based structure of the FHA-2 domain from Mycobacterium tuberculosis ABC transporter Rv1747

Authors

Heinkel, F., Okon, M., Gsponer, J., McIntosh, L.P.

Assembly

ABC transporter ATP-binding/permease protein Rv1747 (E.C.3.6.3.-)

Entity

1. ABC transporter ATP-binding/permease protein Rv1747 (E.C.3.6.3.-) (polymer, Thiol state: not present), 108 monomers, 11587.00 Da Detail

GHMWNLATSM MKILRPGRLT GELPPGAVRI GRANDNDIVI PEVLASRHHA TLVPTPGGTE IRDNRSINGT FVNGARVDAA LLHDGDVVTI GNIDLVFADG TLARREEN

Formula weight

11587.0 Da

Source organism

Mycobacterium tuberculosis H37Rv

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.1 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.1 % (1061 of 1178)	87.0 % (527 of 606)	92.2 % (425 of 461)	98.2 % (109 of 111)
Backbone	96.1 % (611 of 636)	94.1 % (209 of 222)	96.5 % (301 of 312)	99.0 % (101 of 102)
Sidechain	85.4 % (545 of 638)	82.8 % (318 of 384)	89.4 % (219 of 245)	88.9 % (8 of 9)
Aromatic	70.8 % (34 of 48)	66.7 % (16 of 24)	78.3 % (18 of 23)	0.0 % (0 of 1)
Methyl	92.4 % (133 of 144)	93.1 % (67 of 72)	91.7 % (66 of 72)

1. entity 1

GHMWNLATSM MKILRPGRLT GELPPGAVRI GRANDNDIVI PEVLASRHHA TLVPTPGGTE IRDNRSINGT FVNGARVDAA LLHDGDVVTI GNIDLVFADG TLARREEN

Show sample condition

Sample

Solvent system water, Pressure 1 atm, Temperature 298 K, pH 6, Details 300 uM [U-100% 13C; U-100% 15N] Rv1747 FHA-2, 20 mM Sodium Phosphate, 100 mM NaCl, water

#	Name	Isotope labeling	Concentration
1	Rv1747 FHA-2	[U-100% 13C; U-100% 15N]	300 uM
2	Sodium Phosphate	natural abundance	20 mM
3	NaCl	natural abundance	100 mM

LACS Plot; CA

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

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.46 ppm, Outliers: 1 Detail

Release date

2018-04-24

Citation

Biophysical Characterization of the Tandem FHA Domain Regulatory Module from the Mycobacteriumtuberculosis ABC Transporter Rv1747
Heinkel, F., Shen, L., Richard-Greenblatt, M., Okon, M., Bui, J.M., Gee, C.L., Gay, L.M., Alber, T., Av-Gay, Y., Gsponer, J., McIntosh, L.P.
Structure (2018), 26, 972-986, PubMed 29861345 , DOI 10.1016/j.str.2018.04.018 , Abstract

Related entities 1. ABC transporter ATP-binding/permease protein Rv1747 (E.C.3.6.3.-), : 1 : 2 : 49 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC