BMRB Entry 15433

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15433
MolProbity Validation Chart

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Title:
Solution-State Structures of Oleate-Liganded LFABP, Protein Only
Deposition date:
2007-08-15
Original release date:
2008-06-18
Authors:
He, Yan; Yang, Xiaomin; Wang, Hsin; Estephan, Rima; Francis, Fouad; Kodukula, Sarala; Storch, Judith; Stark, Ruth
Citation:

Citation: He, Yan; Yang, Xiaomin; Wang, Hsin; Estephan, Rima; Francis, Fouad; Kodukula, Sarala; Storch, Judith; Stark, Ruth. "Solution-state molecular structure of apo and oleate-liganded liver fatty acid-binding protein"  Biochemistry 46, 12543-12556 (2007).
PubMed: 17927211

Assembly members:

Assembly members:
LFABP, polymer, 127 residues, 14295.663 Da.
OLA, non-polymer, 282.461 Da.

Natural source:

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LFABP: MNFSGKYQVQSQENFEPFMK AMGLPEDLIQKGKDIKGVSE IVHEGKKVKLTITYGSKVIH NEFTLGEECELETMTGEKVK AVVKMEGDNKMVTTFKGIKS VTEFNGDTITNTMTLGDIVY KRVSKRI

Data sets:
Data typeCount
13C chemical shifts608
15N chemical shifts135
1H chemical shifts862

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1LFABP1
2oleate2
3oleate2

Entities:

Entity 1, LFABP 127 residues - 14295.663 Da.

1   METASNPHESERGLYLYSTYRGLNVALGLN
2   SERGLNGLUASNPHEGLUPROPHEMETLYS
3   ALAMETGLYLEUPROGLUASPLEUILEGLN
4   LYSGLYLYSASPILELYSGLYVALSERGLU
5   ILEVALHISGLUGLYLYSLYSVALLYSLEU
6   THRILETHRTYRGLYSERLYSVALILEHIS
7   ASNGLUPHETHRLEUGLYGLUGLUCYSGLU
8   LEUGLUTHRMETTHRGLYGLULYSVALLYS
9   ALAVALVALLYSMETGLUGLYASPASNLYS
10   METVALTHRTHRPHELYSGLYILELYSSER
11   VALTHRGLUPHEASNGLYASPTHRILETHR
12   ASNTHRMETTHRLEUGLYASPILEVALTYR
13   LYSARGVALSERLYSARGILE

Entity 2, oleate - C18 H34 O2 - 282.461 Da.

1   OLA

Samples:

sample_1: LFABP, [U-99% 13C; U-99% 15N], 0.7 – 1.0 mM; sodium phosphate 50 mM; sodium azide 0.02%; EDTA 5 uM; D2O 5%; oleate 3 eq; sodium chloride 100 mM

sample_2: LFABP, [U-99% 13C; U-99% 15N], 0.7 – 1.0 mM; sodium phosphate 50 mM; sodium azide 0.02%; EDTA 5 uM; D2O 98%; oleate 3 eq; sodium chloride 100 mM

sample_3: LFABP, [U-99% 15N], 0.5 – 1.3 mM; sodium phosphate 50 mM; sodium azide 0.02%; EDTA 5 uM; D2O 5%; oleate, [U-99% 13C], 3 eq; sodium chloride 100 mM

sample_4: LFABP, [U-99% 15N], 0.3 mM; sodium phosphate 50 mM; sodium azide 0.02%; EDTA 5 uM; D2O 5%; C12E5 5%; oleate, [U-99% 13C], 3 eq; sodium chloride 100 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7; pressure: 1 atm; temperature: 303 K

sample_conditions_2: ionic strength: 0.15 M; pD: 7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_2
4D 1H-13C NOESYsample_2isotropicsample_conditions_2
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
4D 1H-13C-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HNHAsample_3isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCACOHAsample_1isotropicsample_conditions_1
2D (HB)CB(CD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CDCE)HEsample_1isotropicsample_conditions_1
2D CG(CB)HBsample_1isotropicsample_conditions_1
2D CG(CD)HDsample_1isotropicsample_conditions_1
2D CG(CDCE)HEsample_1isotropicsample_conditions_1
3D CT-HMQC-COSYsample_1isotropicsample_conditions_1
2D hisHCNsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

ARIA v2.0, Linge, O'Donoghue and Nilges - structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

VNMR v6.1C, Varian - collection

Molmol, Koradi, Billeter and Wuthrich - data analysis, graphic display

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th - structure analysis

CSI, Wishart, Sykes - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

SWS P02692

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks