BMRB Entry 53311

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53311
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
1H, 13C and 15N chemical shift resonance assignments of Arachidonic Acid-bound LFABP
Deposition date:
2025-08-08
Original release date:
2026-07-10
Authors:
Khan, Md Imran; Rosario, Irving; Boral, Soumendu; Wang, Hsin; Katz, Francine; Storch, Judith; Stark, Ruth
Citation:

Citation: Khan, Md Imran; Rosario, Irving; Boral, Soumendu; Wang, Hsin; Katz, Francine; Storch, Judith; Stark, Ruth. "Ligand-Induced Surface Remodeling of Liver Fatty Acid-Binding Protein "  .

Assembly members:

Assembly members:
entity_1, polymer, 127 residues, 14272.52 Da.
entity_ACD, non-polymer, 304.467 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: pDest-17

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNFSGKYQVQSQENFEPFMK AMGLPEDLIQKGKDIKGVSE IVHEGKKVKLTITYGSKVIH NEFTLGEECELETMTGEKVK AVVKMEGDNKMVTTFKGIKS VTEFNGDTITNTMTLGDIVY KRVSKRI

Data sets:
Data typeCount
13C chemical shifts522
15N chemical shifts130
1H chemical shifts831

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1LFABP1
2ACD2

Entities:

Entity 1, LFABP 127 residues - 14272.52 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, ACD - C20 H32 O2 - 304.467 Da.

1   ACD

Samples:

sample_1: LFABP, [U-99% 13C; U-99% 15N], 0.55 mM; Phosphate 20 mM; KCI 50 mM

sample_conditions_1: pH: 7; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

POKY vPOKY BUILD 20240829 - chemical shift assignment, data analysis, peak picking

TOPSPIN vTOPSPIN 4.4.0 - collection

NMRPipe - processing

PONDEROSA - structure solution

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE NEO 900 MHz

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