BMRB Entry 15678

Name: Chemical Shift assignment of SeR13 from Staphylococcus Epidermidis, North East Structural Genomics Consortium Target SeR13
Published: 2008-03-17

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PDB ID: 2k1h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15678
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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:

Chemical Shift assignment of SeR13 from Staphylococcus Epidermidis, North East Structural Genomics Consortium Target SeR13

Deposition date:

2008-03-05

Original release date:

2008-03-17

Authors:

Lee, Hsiau-Wei; Wylie, Greg; Bansal, Sonal; Wang, Xu; Shastry, Ritu; Jiang, Mei; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, GVT; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Prestegard, James

Citation:

Citation: Lee, Hsiau-Wei; Wylie, Greg; Bansal, Sonal; Wang, Xu; Barb, Adam; Macnaughtan, Megan; Ertekin, Asli; Montelione, Gaetano; Prestegard, James. "Three-dimensional structure of the weakly associated protein homodimer SeR13 using RDCs and paramagnetic surface mapping." Protein Sci. 19, 1673-1685 (2010).
PubMed: 20589905

Assembly members:

Assembly members:
SeR13, polymer, 94 residues, 10138.311 Da.

Natural source:

Natural source: Common Name: Staphylococcus epidermidis Taxonomy ID: 1282 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus epidermidis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Staphylococcus epidermidis Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SeR13: MEIIAISETPNHNTMKVSLS EPRQDNSFTTYTAAQEGQPE FINRLFEIEGVKSIFYVLDF ISIDKEDNANWNELLPQIEN TFAKSNLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
RDCs
- GEL
- Bicelle

Data type	Count
13C chemical shifts	345
15N chemical shifts	85
1H chemical shifts	494
residual dipolar couplings	106

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SeR13	1

Entities:

Entity 1, SeR13 94 residues - 10138.311 Da.

LEHHHHHH are at the C-terminal as part of His-Tag

1

MET

GLU

ILE

ALA

ILE

SER

GLU

THR

PRO

2

ASN

HIS

ASN

THR

MET

LYS

VAL

SER

LEU

SER

3

GLU

PRO

ARG

GLN

ASP

ASN

SER

PHE

THR

4

TYR

THR

ALA

GLN

GLU

GLY

GLN

PRO

GLU

5

PHE

ILE

ASN

ARG

LEU

PHE

GLU

ILE

GLU

GLY

6

VAL

LYS

SER

ILE

PHE

TYR

VAL

LEU

ASP

PHE

7

ILE

SER

ILE

ASP

LYS

GLU

ASP

ASN

ALA

ASN

8

TRP

ASN

GLU

LEU

PRO

GLN

ILE

GLU

ASN

9

THR

PHE

ALA

LYS

SER

ASN

LEU

GLU

HIS

10

HIS

Samples:

sample_1: SeR13, [U-100% 13C; U-100% 15N], 1.07 mM; sodium azide 0.2%; DTT 100 mM; CaCl2 5 mM; sodium chloride 100 mM; MES 20 mM

GEL_s: SeR13, [U-100% 13C; U-100% 15N], 0.86 mM; sodium azide 0.2%; DTT 100 mM; CaCl2 5 mM; sodium chloride 100 mM; MES 20 mM; Negative Charged Poly Acrylamide Compressed Gel 7%

Bicelle_s: SeR13, [U-100% 13C; U-100% 15N], 0.60 mM; sodium azide 0.2%; DTT 100 mM; CaCl2 5 mM; sodium chloride 100 mM; MES 20 mM; DMPS/DHPC Mixture 7.5%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC-TROSY	GEL_s	anisotropic	sample_conditions_1
2D 1H-15N HSQC-TROSY	Bicelle_s	anisotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - refinement

SPARKY, Goddard - chemical shift assignment

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

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2K1H
EMBL	CDM13704
GB	AAO04721 AAW54376 AIR82327 AJP24693 EES36166
REF	NP_764679 WP_001831110 WP_002489988 WP_002493609 WP_047500344