BMRB: 6134

THE NMR STRUCTURE OF A STABLE AND COMPACT ALL-beta-SHEET VARIANT OF INTESTINAL FATTY ACID-BINDING PROTEIN

Authors

Ogbay, B., DeKoster, G.T., Cistola, D.P.

Assembly

d27gg

Entity

1. d27gg (polymer, Thiol state: not present), 106 monomers, 11888.31 Da Detail

AFDGTWKVGG LKLTITQEGN KFTVKESSNF RNIDVVFELG VDFAYSLADG TELTGTWTME GNKLVGKFKR VDNGKELIAV REISGNELIQ TYTYEGVEAK RIFKKE

Formula weight

11888.31 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Refine. method

ARIA1.1.2/CNS1.1

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 80.6 %, Completeness (bb): 97.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.6 % (1010 of 1253)	73.9 % (479 of 648)	87.5 % (428 of 489)	88.8 % (103 of 116)
Backbone	97.2 % (618 of 636)	96.4 % (216 of 224)	97.7 % (299 of 306)	97.2 % (103 of 106)
Sidechain	68.2 % (485 of 711)	62.0 % (263 of 424)	80.1 % (222 of 277)	0.0 % (0 of 10)
Aromatic	33.1 % (39 of 118)	33.9 % (20 of 59)	33.3 % (19 of 57)	0.0 % (0 of 2)
Methyl	80.3 % (98 of 122)	82.0 % (50 of 61)	78.7 % (48 of 61)

1. Second generation helix-less intestinal fatty acid binding protein

AFDGTWKVGG LKLTITQEGN KFTVKESSNF RNIDVVFELG VDFAYSLADG TELTGTWTME GNKLVGKFKR VDNGKELIAV REISGNELIQ TYTYEGVEAK RIFKKE

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Second generation helix-less intestinal fatty acid binding protein			1.8 mM
2	potassium phosphate			20 mM
3	KCl			135 mM
4	NaCl			10 mM
5	NaN3			0.5 %
6	H2O			95 %
7	D2O			5 %

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LACS Plot; CA

Referencing offset: 0.29 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: 0.29 ppm, Outliers: 2 Detail

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Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.21 ppm, Outliers: 7 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: 3.85 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

Calculated from 10 models in PDB: 1SA8, Strand ID: A Detail

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Release date

2004-05-14

Citation

The NMR structure of a stable and compact all-beta-sheet variant of intestinal fatty acid-binding protein
Ogbay, B., DeKoster, G.T., Cistola, D.P.
Protein Sci. (2004), 13, 1227-1237, PubMed 15096629 , DOI 10.1110/ps.03546204 , Abstract

Related entities 1. d27gg, : 1 : 232 entities Detail

Experiments performed 4 experiments Detail