BMRB Entry 27509

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for hFABP1 triple-mutant (K57A,E77A,K96A)
Published: 2018-12-19

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27509

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3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for hFABP1 triple-mutant (K57A,E77A,K96A)

Deposition date:

2018-06-06

Original release date:

2018-12-19

Authors:

Chandrashekaran, Indu; Mohanty, Biswaranjan; Scanlon, Martin

Citation:

Citation: Patil, Rahul; Mohanty, Biswaranjan; Liu, Bonan; Chandrashekaran, Indu; Headey, Stephen; Williams, Martin; Clements, Craig; Ilyichova, Olga; Doak, Bradley; Genissel, Patrick; Weaver, Richard; Vuillard, Laurent; Halls, Michelle; Porter, Christopher; Scanlon, Martin. "A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists" J. Biol. Chem. 294, 3720-3734 (2019).
PubMed: 30598509

Assembly members:

Assembly members:
Human_liver_fatty_acid_binding_protein_(hFABP1)_K57A_E77A_K96A_mutant, polymer, 129 residues, 14180.3 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Human_liver_fatty_acid_binding_protein_(hFABP1)_K57A_E77A_K96A_mutant: GSMSFSGKYQLQSQENFEAF MKAIGLPEELIQKGKDIKGV SEIVQNGKHFKFTITAGSAV IQNEFTVGEECELETMTGAK VKTVVQLEGDNKLVTTFANI KSVTELNGDIITNTMTLGDI VFKRISKRI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	241
15N chemical shifts	123
1H chemical shifts	123

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	polypeptide	1

Entities:

Entity 1, polypeptide 129 residues - 14180.3 Da.

Residues 1 and 2 represent a non-native affinity tag

1

GLY

SER

MET

SER

PHE

SER

GLY

LYS

TYR

GLN

2

LEU

GLN

SER

GLN

GLU

ASN

PHE

GLU

ALA

PHE

3

MET

LYS

ALA

ILE

GLY

LEU

PRO

GLU

LEU

4

ILE

GLN

LYS

GLY

LYS

ASP

ILE

LYS

GLY

VAL

5

SER

GLU

ILE

VAL

GLN

ASN

GLY

LYS

HIS

PHE

6

LYS

PHE

THR

ILE

THR

ALA

GLY

SER

ALA

VAL

7

ILE

GLN

ASN

GLU

PHE

THR

VAL

GLY

GLU

8

CYS

GLU

LEU

GLU

THR

MET

THR

GLY

ALA

LYS

9

VAL

LYS

THR

VAL

GLN

LEU

GLU

GLY

ASP

10

ASN

LYS

LEU

VAL

THR

PHE

ALA

ASN

ILE

11

LYS

SER

VAL

THR

GLU

LEU

ASN

GLY

ASP

ILE

12

ILE

THR

ASN

THR

MET

THR

LEU

GLY

ASP

ILE

13

VAL

PHE

LYS

ARG

ILE

SER

LYS

ARG

ILE

Samples:

sample_1: Human liver fatty acid binding protein (hFABP1) K57A, E77A, K96A mutant, [U-99% 13C; U-99% 15N], 0.290 mM; MES 20 mM; sodium chloride 50 mM; sodium azide 0.02%; D2O, [U-100% 2H], 10%; H2O 90%

sample_conditions_1: ionic strength: 20 mM; pH: 5.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

CARA_1.2 v4, Keller and Wuthrich - chemical shift assignment, chemical shift calculation, data analysis, peak picking

TOPSPIN v3.5, Bruker Biospin - collection, processing

MddNMR v2, Orekhov, Jaravine, Mayzel and Kazimierczuk,Swedish NMR Center, University of Gothenburg - processing

NMR spectrometers:

Bruker Avance 600 MHz

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