BMRB Entry 28101

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Scc4 in Chlamydia Trachomatis
Published: 2021-07-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28101

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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 1H, 13C, and 15N Chemical Shift Assignments for Scc4 in Chlamydia Trachomatis

Deposition date:

2020-03-20

Original release date:

2021-07-16

Authors:

Ukwaththage, Thilini; Tonelli, Marco; Macnaughtan, Megan

Citation:

Citation: Ukwaththage, Thilini; Tonelli, Marco; Macnaughtan, Megan. "Backbone resonance assignments and secondary structure of Scc4 from Chlamydia trachomatis" Biomol. NMR Assign. 14, 301-307 (2020).
PubMed: 32617786

Assembly members:

Assembly members:
Scc4, polymer, 133 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Chlamydia trachomatis Taxonomy ID: 813 Superkingdom: Bacteria Kingdom: not available Genus/species: Chlamydia trachomatis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28Scc4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Scc4: MLEKLIKNFVAYMGVASELE FDADGSYVFPISSLVRMRVR QNADEEIIISAFLGEIPASM DIEKAYARMMEGNLFGQETG GAALGLDSDGHAVLVRRVPG EVSQEDFASYIESVLNYAEA WLEDLGLSKTEQE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	530
15N chemical shifts	124
1H chemical shifts	796

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Scc4, subunit 1	1
2	Scc4, subunit 2	1

Entities:

Entity 1, Scc4, subunit 1 133 residues - Formula weight is not available

1

MET

LEU

GLU

LYS

LEU

ILE

LYS

ASN

PHE

VAL

2

ALA

TYR

MET

GLY

VAL

ALA

SER

GLU

LEU

GLU

3

PHE

ASP

ALA

ASP

GLY

SER

TYR

VAL

PHE

PRO

4

ILE

SER

LEU

VAL

ARG

MET

ARG

VAL

ARG

5

GLN

ASN

ALA

ASP

GLU

ILE

SER

6

ALA

PHE

LEU

GLY

GLU

ILE

PRO

ALA

SER

MET

7

ASP

ILE

GLU

LYS

ALA

TYR

ALA

ARG

MET

8

GLU

GLY

ASN

LEU

PHE

GLY

GLN

GLU

THR

GLY

9

GLY

ALA

LEU

GLY

LEU

ASP

SER

ASP

GLY

10

HIS

ALA

VAL

LEU

VAL

ARG

VAL

PRO

GLY

11

GLU

VAL

SER

GLN

GLU

ASP

PHE

ALA

SER

TYR

12

ILE

GLU

SER

VAL

LEU

ASN

TYR

ALA

GLU

ALA

13

TRP

LEU

GLU

ASP

LEU

GLY

LEU

SER

LYS

THR

14

GLU

GLN

GLU

Samples:

sample_1: Scc4, [U-99% 13C; U-99% 15N], 0.5 mM; D2O, [U-99% 2H], 10%; DSS 5 uM; H2O 90%; sodium phosphate 50 mM

sample_conditions_1: pH: 7.3; 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_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
1H-13C-HSQC-CT-2D	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HC(C)H-TOCSY	sample_1	isotropic	sample_conditions_1
2D Aromatic 1H, 13C-HSQC-CT	sample_1	isotropic	sample_conditions_1
2D Aromatic Cb-13CHSQC-CT	sample_1	isotropic	sample_conditions_1
2D (HB)CB(CGCD)HD	sample_1	isotropic	sample_conditions_1
2D (HB)CB(CGCDCE)HE	sample_1	isotropic	sample_conditions_1
3D Aromatic HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMR-Sparky v3.135, Goddard - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMRJ, Varian - collection

NMR spectrometers:

Varian/Agilent VNMRS 600 MHz
Varian/Agilent VNMRS 800 MHz

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