BMRB Entry 27298

Name: C8 bound E.coli GcvH backbone chemical shift assignments
Published: 2018-01-29

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27298

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: C8 bound E.coli GcvH backbone chemical shift assignments PubMed: 29335837

Deposition date: 2017-10-28 Original release date: 2018-01-29

Authors: Yadav, Usha; Sundd, Monica

Citation: Yadav, Usha; Sundd, Monica. "Backbone chemical shift assignments of the glycine cleavage complex H protein of Escherichia coli" Biomol. NMR Assign. 12, 163-165 (2018).

Assembly members:
C8_Glycine_cleavage_complex_H_protein, polymer, 128 residues, Formula weight is not available
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate, non-polymer, 484.544 Da.

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
C8_Glycine_cleavage_complex_H_protein: SNVPAELKYSKEHEWLRKEA DGTYTVGITEHAQELLGDMV FVDLPEVGATVSAGDDCAVA ESVKAASDIYAPVSGEIVAV NDALSDSPELVNSEPYAGGW IFKIKASDESELESLLDATA YEALLEDE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	356
15N chemical shifts	120
1H chemical shifts	120

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C8 Glycine cleavage complex H protein	1
2	Octanoyl chain	2

Entities:

Entity 1, C8 Glycine cleavage complex H protein 128 residues - Formula weight is not available

1

SER

ASN

VAL

PRO

ALA

GLU

LEU

LYS

TYR

SER

2

LYS

GLU

HIS

GLU

TRP

LEU

ARG

LYS

GLU

ALA

3

ASP

GLY

THR

TYR

THR

VAL

GLY

ILE

THR

GLU

4

HIS

ALA

GLN

GLU

LEU

GLY

ASP

MET

VAL

5

PHE

VAL

ASP

LEU

PRO

GLU

VAL

GLY

ALA

THR

6

VAL

SER

ALA

GLY

ASP

CYS

ALA

VAL

ALA

7

GLU

SER

VAL

LYS

ALA

SER

ASP

ILE

TYR

8

ALA

PRO

VAL

SER

GLY

GLU

ILE

VAL

ALA

VAL

9

ASN

ASP

ALA

LEU

SER

ASP

SER

PRO

GLU

LEU

10

VAL

ASN

SER

GLU

PRO

TYR

ALA

GLY

TRP

11

ILE

PHE

LYS

ILE

LYS

ALA

SER

ASP

GLU

SER

12

GLU

LEU

GLU

SER

LEU

ASP

ALA

THR

ALA

13

TYR

GLU

ALA

LEU

GLU

ASP

GLU

Entity 2, Octanoyl chain - C19 H37 N2 O8 P S - 484.544 Da.

1

SXO

Samples:

sample_1: C8 Glycine cleavage complex H protein, [U-99% 13C; U-99% 15N], 300 uM; Tris HCl Buffer 50 mM; sodium chloride 200 mM

sample_conditions_1: pH: 7.8; pressure: 1 atm; temperature: 293 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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

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