BMRB Entry 27351

Name: Chemical shift assignments of the N-terminal peptide segment of human cystathionine-beta-synthase
Published: 2019-04-25

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27351

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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:

Chemical shift assignments of the N-terminal peptide segment of human cystathionine-beta-synthase

Deposition date:

2018-01-03

Original release date:

2019-04-25

Authors:

Ohlenschlaeger, Oliver; Kumar, Amit; Ramachandran, Ramadurai

Citation:

Citation: Kumar, Amit; Wissbrock, Amelie; Goradia, Nishit; Bellstedt, Peter; Ramachandran, Ramadurai; Imhof, Diana; Ohlenschlaeger, Oliver. "Heme interaction of the intrinsically disordered N-terminal peptide segment of human cystathionine-beta-synthase" Sci. Rep. 8, 2474-2474 (2018).
PubMed: 29410458

Assembly members:

Assembly members:
CBS40, polymer, 49 residues, 5210.65 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: pET-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CBS40: ENLYFQGVDMPSETPQAEVG PTGCPHRSGPHSAKGSLEKG SPEDKEAKE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	178
15N chemical shifts	42
1H chemical shifts	167

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CBS40	1

Entities:

Entity 1, CBS40 49 residues - 5210.65 Da.

Residues -8-0 (_Residue_author_seq_code) or 1-9 (_Residue_seq_code) represent a non-native cloning artefact.

1

GLU

ASN

LEU

TYR

PHE

GLN

GLY

VAL

ASP

MET

2

PRO

SER

GLU

THR

PRO

GLN

ALA

GLU

VAL

GLY

3

PRO

THR

GLY

CYS

PRO

HIS

ARG

SER

GLY

PRO

4

HIS

SER

ALA

LYS

GLY

SER

LEU

GLU

LYS

GLY

5

SER

PRO

GLU

ASP

LYS

GLU

ALA

LYS

GLU

Samples:

sample_1: CBS40, [U-15N], 700 uM; sodium phosphate 20 mM; DTT 2 mM

sample_2: CBS40, [U-13C; U-15N], 700 uM; sodium phosphate 20 mM; DTT 2 mM

sample_conditions_1: ionic strength: 0.038 M; pH: 6.9; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HBHANH	sample_2	isotropic	sample_conditions_1
3D HNN	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection

CCPN v2.4.2, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz