BMRB Entry 27349

Name: 1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile
Published: 2019-01-10

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PDB ID: 6c00
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27349
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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:

1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile

Deposition date:

2017-12-26

Original release date:

2019-01-10

Authors:

Zhang, Yonghong; Aguilar, Faith

Citation:

Citation: Aguilar, Faith; Banaei, Niaz; Zhang, Yonghong. "1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile" Biomol. NMR Assignments 13, 91-95 (2019).
PubMed: 30370502

Assembly members:

Assembly members:
C_difficile_IF1, polymer, 83 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Clostridium difficile Taxonomy ID: 1496 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium difficile

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET24b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
C_difficile_IF1: MASMAKKDVIELEGTVSEAL PNAMFKVKLENGHEILCHIS GKLRMNFIRILEGDKVNVEL SPYDLTRGRITWRKKLEHHH HHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	300
15N chemical shifts	74
1H chemical shifts	483

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C. difficile IF1	1

Entities:

Entity 1, C. difficile IF1 83 residues - Formula weight is not available

Residues- MAS at the very beginning and Residues-LEHHHHHH at the end represent non-native residues because of subcloning and affinity tag.

1

MET

ALA

SER

MET

ALA

LYS

ASP

VAL

ILE

2

GLU

LEU

GLU

GLY

THR

VAL

SER

GLU

ALA

LEU

3

PRO

ASN

ALA

MET

PHE

LYS

VAL

LYS

LEU

GLU

4

ASN

GLY

HIS

GLU

ILE

LEU

CYS

HIS

ILE

SER

5

GLY

LYS

LEU

ARG

MET

ASN

PHE

ILE

ARG

ILE

6

LEU

GLU

GLY

ASP

LYS

VAL

ASN

VAL

GLU

LEU

7

SER

PRO

TYR

ASP

LEU

THR

ARG

GLY

ARG

ILE

8

THR

TRP

ARG

LYS

LEU

GLU

HIS

9

HIS

Samples:

sample_1: C. difficile IF1, [U-99% 15N], 1 mM

sample_2: C. difficile IF1, [U-99% 13C; U-99% 15N], 1 mM

sample_3: C. difficile IF1, [U-99% 13C; U-99% 15N], 1 mM

sample_conditions_1: ionic strength: 0.12 M; pH: 5.1; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker AMX 600 MHz
Bruker Avance 600 MHz
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