BMRB Entry 27136

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for T94T variant of human liver FABP in complex with glycocholic acid
Published: 2017-07-06

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27136

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Nicholas Rego and David Koes
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 T94T variant of human liver FABP in complex with glycocholic acid

Deposition date:

2017-06-12

Original release date:

2017-07-06

Authors:

D'Onofrio, Mariapina; Barracchia, Carlo Giorgio; Bortot, Andrea; Munari, Francesca; Zanzoni, Serena; Assfalg, Michael

Citation:

Citation: D'Onofrio, Mariapina; Barracchia, Carlo Giorgio; Bortot, Andrea; Munari, Francesca; Zanzoni, Serena; Assfalg, Michael. "Molecular differences between human liver fatty acid binding protein and its T94A variant in their unbound and lipid-bound states" Biochim. Biophys. Acta 1865, 1152-1159 (2017).
PubMed: 28668637

Assembly members:

Assembly members:
hL-FABP_T94T_variant, polymer, 135 residues, Formula weight is not available
entity_GCH, non-polymer, 465.623 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: pQE50

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hL-FABP_T94T_variant: MRGSMSFSGKYQLQSQENFE AFMKAIGLPEELIQKGKDIK GVSEIVQNGKHFKFTITAGS KVIQNEFTVGEECELETMTG EKVKTVVQLEGDNKLVTTFK NIKSVTELNGDIITNTMTLG DIVFKRISKRILVPR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	233
15N chemical shifts	126
1H chemical shifts	126

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hL-FABP	1
2	GCA	2

Entities:

Entity 1, hL-FABP 135 residues - Formula weight is not available

First and last four residues are added for cloning and tag purposes

1

MET

ARG

GLY

SER

MET

SER

PHE

SER

GLY

LYS

2

TYR

GLN

LEU

GLN

SER

GLN

GLU

ASN

PHE

GLU

3

ALA

PHE

MET

LYS

ALA

ILE

GLY

LEU

PRO

GLU

4

GLU

LEU

ILE

GLN

LYS

GLY

LYS

ASP

ILE

LYS

5

GLY

VAL

SER

GLU

ILE

VAL

GLN

ASN

GLY

LYS

6

HIS

PHE

LYS

PHE

THR

ILE

THR

ALA

GLY

SER

7

LYS

VAL

ILE

GLN

ASN

GLU

PHE

THR

VAL

GLY

8

GLU

CYS

GLU

LEU

GLU

THR

MET

THR

GLY

9

GLU

LYS

VAL

LYS

THR

VAL

GLN

LEU

GLU

10

GLY

ASP

ASN

LYS

LEU

VAL

THR

PHE

LYS

11

ASN

ILE

LYS

SER

VAL

THR

GLU

LEU

ASN

GLY

12

ASP

ILE

THR

ASN

THR

MET

THR

LEU

GLY

13

ASP

ILE

VAL

PHE

LYS

ARG

ILE

SER

LYS

ARG

14

ILE

LEU

VAL

PRO

ARG

Entity 2, GCA - C26 H43 N O6 - 465.623 Da.

1

GCH

Samples:

sample_1: hL-FABP T94T variant, [U-100% 13C; U-100% 15N], 0.5 mM; glycocholic acid 2.5 mM; phosphate buffer 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

XEASY, Bartels et al. - chemical shift assignment

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