BMRB Entry 7357

Name: HN,CA,CB Chemical shift assignments for apo-Rat intestinal fatty acid binding protein, Clofibric acid-Rat intestinal fatty acid binding protein complex, Fenofibric acid-Rat intestinal fatty acid binding protein complex and Tolfenamic acid-Rat intestinal fatty acid binding protein complex.
Published: 2007-03-09

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7357

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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:

HN,CA,CB Chemical shift assignments for apo-Rat intestinal fatty acid binding protein, Clofibric acid-Rat intestinal fatty acid binding protein complex, Fenofibric acid-Rat intestinal fatty acid binding protein complex and Tolfenamic acid-Rat intestinal fatty acid binding protein complex.

Deposition date:

2006-12-17

Original release date:

2007-03-09

Authors:

Velkov, Tony; Scanlon, Martin; Porter, Christopher

Citation:

Citation: Velkov, Tony; Horne, James; Languerre, Aisha; Jones, Eric; Scanlon, Martin; Porter, Christopher. "Examination of the role of intestinal fatty acid-binding protein in drug absorption using a parallel artificial membrane permeability assay." Chem. Biol. 14, 453-365 (2007).
PubMed: 17462580

Assembly members:

Assembly members:
Rat_intestinal_fatty_acid_binding_protein, polymer, 131 residues, 14993.0 Da.
Tolfenamic_acid, non-polymer, Formula weight is not available

Natural source:

Natural source: Common Name: Norway 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: pTrc99A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Rat_intestinal_fatty_acid_binding_protein: AFDGTWKVDRNENYEKFMEK MGINVVKRKLGAHDNLKLTI TQEGNKFTVKESSNFRNIDV VFELGVDFAYSLADGTELTG TWTMEGNKLVGKFKRVDNGK ELIAVREISGNELIQTYTYE GVEAKRIFKKE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	239
15N chemical shifts	128
1H chemical shifts	129

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	single polypeptide chain	1
2	Tolfenamic_acid	2

Entities:

Entity 1, single polypeptide chain 131 residues - 14993.0 Da.

1

ALA

PHE

ASP

GLY

THR

TRP

LYS

VAL

ASP

ARG

2

ASN

GLU

ASN

TYR

GLU

LYS

PHE

MET

GLU

LYS

3

MET

GLY

ILE

ASN

VAL

LYS

ARG

LYS

LEU

4

GLY

ALA

HIS

ASP

ASN

LEU

LYS

LEU

THR

ILE

5

THR

GLN

GLU

GLY

ASN

LYS

PHE

THR

VAL

LYS

6

GLU

SER

ASN

PHE

ARG

ASN

ILE

ASP

VAL

7

VAL

PHE

GLU

LEU

GLY

VAL

ASP

PHE

ALA

TYR

8

SER

LEU

ALA

ASP

GLY

THR

GLU

LEU

THR

GLY

9

THR

TRP

THR

MET

GLU

GLY

ASN

LYS

LEU

VAL

10

GLY

LYS

PHE

LYS

ARG

VAL

ASP

ASN

GLY

LYS

11

GLU

LEU

ILE

ALA

VAL

ARG

GLU

ILE

SER

GLY

12

ASN

GLU

LEU

ILE

GLN

THR

TYR

THR

TYR

GLU

13

GLY

VAL

GLU

ALA

LYS

ARG

ILE

PHE

LYS

14

GLU

Entity 2, Tolfenamic_acid - . - Formula weight is not available

1

TOLF

Samples:

Tolfenamic_acid-Rat_FABP2: Rat intestinal fatty acid binding protein, [U-99% 13C; U-99% 15N], 0.5 mM; Tolfenamic acid 5 mM; H2O 90%; D2O 10%

sample_cond: ionic strength: 0.05 M; pH: 5.5; temperature: 295.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	Tolfenamic_acid-Rat_FABP2	isotropic	sample_cond

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Varian Inova 600 MHz

BMRB	15082 7355 7356
PDB	1AEL 1DC9 1ICM 1ICN 1IFB 1IFC 1T8V 1URE 2IFB 3AKN
GB	AAA41133 AAA41138 AAA41141 EDL82110
PRF	1202232A 1202232A:PDB=1IFC
REF	NP_037200
SP	P02693
AlphaFold	P02693