BMRB Entry 52374

Name: NMR chemical shift assignment of odorant binding protein 44a from Drosophila
Published: 2024-05-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52374

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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:

NMR chemical shift assignment of odorant binding protein 44a from Drosophila

Deposition date:

2024-03-27

Original release date:

2024-05-03

Authors:

Cotten, Myriam; Starich, Mary; He, Yi; Yin, Jun; Yuan, Quan; Tjandra, Nico

Citation:

Citation: Cotten, Myriam; Starich, Mary; He, Yi; Yin, Jun; Yuan, Quan; Tjandra, Nico. "NMR chemical shift assignment of Drosophila odorant binding protein 44a in complex with 8(Z)-eicosenoic acid" Biomol. NMR Assign. 18, 129-134 (2024).
PubMed: 38822991

Assembly members:

Assembly members:
entity_1, polymer, 125 residues, 14106.03 Da.

Natural source:

Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJ414

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SDYKLRTAEDLQSARKECAA SSKVTEALIAKYKTFDYPDD DITRNYIQCIFVKFDLFDEA KGFKVENLVAQLGQGKEDKA ALKADIEKCADKNEQKSPAN EWAFRGFKCFLGKNLPLVQA AVQKN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	363
15N chemical shifts	121
1H chemical shifts	477

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Odorant Binding Protein 44a (OBP44a)	1

Entities:

Entity 1, Odorant Binding Protein 44a (OBP44a) 125 residues - 14106.03 Da.

1

SER

ASP

TYR

LYS

LEU

ARG

THR

ALA

GLU

ASP

2

LEU

GLN

SER

ALA

ARG

LYS

GLU

CYS

ALA

3

SER

LYS

VAL

THR

GLU

ALA

LEU

ILE

ALA

4

LYS

TYR

LYS

THR

PHE

ASP

TYR

PRO

ASP

5

ASP

ILE

THR

ARG

ASN

TYR

ILE

GLN

CYS

ILE

6

PHE

VAL

LYS

PHE

ASP

LEU

PHE

ASP

GLU

ALA

7

LYS

GLY

PHE

LYS

VAL

GLU

ASN

LEU

VAL

ALA

8

GLN

LEU

GLY

GLN

GLY

LYS

GLU

ASP

LYS

ALA

9

ALA

LEU

LYS

ALA

ASP

ILE

GLU

LYS

CYS

ALA

10

ASP

LYS

ASN

GLU

GLN

LYS

SER

PRO

ALA

ASN

11

GLU

TRP

ALA

PHE

ARG

GLY

PHE

LYS

CYS

PHE

12

LEU

GLY

LYS

ASN

LEU

PRO

LEU

VAL

GLN

ALA

13

ALA

VAL

GLN

LYS

ASN

Samples:

sample_1: apo OBP44a, [U-100% 15N], 400 uM; potassium phosphate buffer 20 mM; EDTA 1 mM

sample_2: apo OBP44a, [U-100% 13C; U-100% 15N], 400 uM; potassium phosphate buffer 20 mM; EDTA 1 mM

sample_3: apo OBP44a, [U-100% 13C; U-100% 15N], 400 uM; potassium phosphate buffer 20 mM; EDTA 1 mM

sample_conditions_1: pH: 6.62; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
3D CBCACONH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D C(CO)NH	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D H(CCO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_2	isotropic	sample_conditions_1

Software:

CcpNMR v3.1 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 600 MHz
Bruker AVANCE NEO 900 MHz