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BMRB: 18637

4UET

1H, 13C and 15N chemical shift assignments of Na-FAR-1, a helix-rich fatty acid and retinol binding protein of the parasitic nematode Necator americanus

Authors

Rey Burusco, M., Ibanez Shimabukuro, M., Cooper, A., Kennedy, M.W., Corsico, B., Smith, B.O.

Assembly

rNa-FAR-1

Entity

1. rNa-FAR-1 (polymer, Thiol state: not present), 170 monomers, 18766.21 Da Detail

MGSSHHHHHH SSGHMFKYED IPADYRDLMP PEARDFLQNL SDGDKTVLKE VFKAGPYKNT EESIAALKKK SPELGAKVEK LHAMVKSKIA ALGPEAKGFA EKSIEIARGI KARYYTGNEP TKDDLKASVK EVLKLYKAMS DAGKADFGKQ FPFLAKVFES GKAAKFAGEN

Formula weight

18766.21 Da

Source organism

Necator americanus

Exptl. method

solution NMR

Refine. method

NONE

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 85.9 %, Completeness: 32.2 %, Completeness (bb): 52.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.2 % (641 of 1992)	24.7 % (258 of 1045)	31.5 % (245 of 779)	82.1 % (138 of 168)
Backbone	52.8 % (530 of 1004)	50.1 % (173 of 345)	44.3 % (220 of 497)	84.6 % (137 of 162)
Sidechain	17.7 % (203 of 1145)	12.1 % (85 of 700)	26.7 % (117 of 439)	16.7 % (1 of 6)
Aromatic	0.6 % (1 of 170)	1.2 % (1 of 85)	0.0 % (0 of 85)
Methyl	22.7 % (34 of 150)	14.7 % (11 of 75)	30.7 % (23 of 75)

1. rNa-FAR-1

MGSSHHHHHH SSGHMFKYED IPADYRDLMP PEARDFLQNL SDGDKTVLKE VFKAGPYKNT EESIAALKKK SPELGAKVEK LHAMVKSKIA ALGPEAKGFA EKSIEIARGI KARYYTGNEP TKDDLKASVK EVLKLYKAMS DAGKADFGKQ FPFLAKVFES GKAAKFAGEN

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 311.000 K, pH 7.200

#	Name	Isotope labeling	Concentration
1	rNa-FAR-1	[U-99% 13C; U-99% 15N]	50.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	NaPi	natural abundance	20 mM

Chem. Shift Complete2

Sequence coverage: 94.1 %, Completeness: 62.7 %, Completeness (bb): 73.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	62.7 % (2497 of 3984)	59.3 % (1239 of 2090)	61.8 % (963 of 1558)	87.8 % (295 of 336)
Backbone	73.0 % (1466 of 2008)	71.9 % (496 of 690)	68.6 % (682 of 994)	88.9 % (288 of 324)
Sidechain	55.5 % (1271 of 2290)	53.1 % (743 of 1400)	59.3 % (521 of 878)	58.3 % (7 of 12)
Aromatic	37.4 % (127 of 340)	39.4 % (67 of 170)	35.3 % (60 of 170)
Methyl	61.3 % (184 of 300)	57.3 % (86 of 150)	65.3 % (98 of 150)

1. rNa-FAR-1

MGSSHHHHHH SSGHMFKYED IPADYRDLMP PEARDFLQNL SDGDKTVLKE VFKAGPYKNT EESIAALKKK SPELGAKVEK LHAMVKSKIA ALGPEAKGFA EKSIEIARGI KARYYTGNEP TKDDLKASVK EVLKLYKAMS DAGKADFGKQ FPFLAKVFES GKAAKFAGEN

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 311.000 K, pH 7.200

#	Name	Isotope labeling	Concentration
1	rNa-FAR-1	[U-99% 13C; U-99% 15N]	50.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	50 mM
5	NaPi	natural abundance	20 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	H	4.611 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.53 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	H	4.611 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.53 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	H	4.611 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	H	4.611 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.47 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 4UET, Strand ID: A Detail

Release date

2013-02-11

Citation

¹H, ¹³C and ¹⁵N chemical shift assignments of Na-FAR-1, a helix-rich fatty acid and retinol binding protein of the parasitic nematode Necator americanus
Rey-Burusco, M., Ibanez-Shimabukuro, M., Cooper, A., Kennedy, M.W., Corsico, B., Smith, B.O.
Biomol. NMR Assign. (2014), 8, 19-21, PubMed 23179061 , DOI 10.1007/s12104-012-9444-4 , Abstract

Related entities 1. rNa-FAR-1, : 15 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC/HMQC