BMRB Entry 52295

Name: Backbone chemical shift assignment of holo-Biotin carboxyl carrier protein (BCCP) domain of Streptococcus pneumoniae d39.
Published: 2024-02-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52295

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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 chemical shift assignment of holo-Biotin carboxyl carrier protein (BCCP) domain of Streptococcus pneumoniae d39.

Deposition date:

2024-01-30

Original release date:

2024-02-02

Authors:

Karalia, Shivani; Meena, Vinod kumar

Citation:

Citation: Karalia, Shivani; Meena, Vinod Kumar; Kumar, Vijay. "Deciphering structural variation upon biotinylation of biotin carboxyl carrier protein domain in Streptococcus pneumoniae" Int. J. Biol. Macromol. 275, 133580-133580 (2024).
PubMed: 38960227

Assembly members:

Assembly members:
entity_1, polymer, 84 residues, Formula weight is not available
entity_BTN, non-polymer, 244.311 Da.

Natural source:

Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMATEGNLVESPLVGVVY LAAGPDKPAFVTVGDSVKKG QTLVIIEAMKVMNEIPAPKD GVVTEILVSNEEMVEFGKGL VRIK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	89
15N chemical shifts	71
1H chemical shifts	71

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SpBCCP80	1
2	BIOTIN	2

Entities:

Entity 1, SpBCCP80 84 residues - Formula weight is not available

Final sequence after his-cleavage: GSHMATEGNLVESPLVGVVYLAAGPDKPAFVTVGDSVKKGQTLVIIEAMKVMNEIPAPKDGVVTEILVSNEEMVEFGKGLVRIK Full sequence of BCCP: MNLNDIKDLMTQFDQSSLREFSYKNGTDELQFSKNEARPVPEVATQVAPAPVLATPSPVAPTSAPAETVAEEVPAPAEASVATEGNLVESPLVGVVYLAAGPDKPAFVTVGDSVKKGQTLVIIEAMKVMNEIPAPKDGVVTEILVSNEEMVEFGKGLVRIK BCCP sequence cloned and used: ATEGNLVESPLVGVVYLAAGPDKPAFVTVGDSVKKGQTLVIIEAMKVMNEIPAPKDGVVTEILVSNEEMVEFGKGLVRIK

1

GLY

SER

HIS

MET

ALA

THR

GLU

GLY

ASN

LEU

2

VAL

GLU

SER

PRO

LEU

VAL

GLY

VAL

TYR

3

LEU

ALA

GLY

PRO

ASP

LYS

PRO

ALA

PHE

4

VAL

THR

VAL

GLY

ASP

SER

VAL

LYS

GLY

5

GLN

THR

LEU

VAL

ILE

GLU

ALA

MET

LYS

6

VAL

MET

ASN

GLU

ILE

PRO

ALA

PRO

LYS

ASP

7

GLY

VAL

THR

GLU

ILE

LEU

VAL

SER

ASN

8

GLU

MET

VAL

GLU

PHE

GLY

LYS

GLY

LEU

9

VAL

ARG

ILE

LYS

Entity 2, BIOTIN - C10 H16 N2 O3 S - 244.311 Da.

1

BTN

Samples:

sample_1: SpBCCP80, [U-99% 13C; U-99% 15N], 1.5 mM; Tris HCl buffer 20 mM; soduim chloride 100 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 8.5; pressure: 1 atm; temperature: 293 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 C(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - chemical shift assignment

CARA - refinement

NMR spectrometers:

Bruker Avance 700 MHz

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