BMRB Entry 18773

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Staphylococcal Complement Inhibitor SCIN-B
Published: 2013-01-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18773

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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 Staphylococcal Complement Inhibitor SCIN-B

Deposition date:

2012-10-09

Original release date:

2013-01-29

Authors:

Garcia, Brandon; Laity, John

Citation:

Citation: Garcia, Brandon; Summers, Brady; Ramyar, Kasra; Tzekou, Apostolia; Lin, Zhuoer; Ricklin, Daniel; Lambris, John; Laity, John; Geisbrecht, Brian. "A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins." J. Biol. Chem. 288, 2870-2881 (2013).
PubMed: 23233676

Assembly members:

Assembly members:
SCIN-B, polymer, 85 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 158878 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pT7HMT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SCIN-B: SSLDKYLTESQFHDKRIAEE LRTLLNKSNVYALAAGSLNP YYKRTIMMNEYRAKAALKKN DFVSMADAKVALEKIYKEID EIINR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_1

Data type	Count
13C chemical shifts	242
15N chemical shifts	82
1H chemical shifts	82
heteronuclear NOE values	63
T1 relaxation values	64
T2 relaxation values	85

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SCIN-B	1

Entities:

Entity 1, SCIN-B 85 residues - Formula weight is not available

1

SER

LEU

ASP

LYS

TYR

LEU

THR

GLU

SER

2

GLN

PHE

HIS

ASP

LYS

ARG

ILE

ALA

GLU

3

LEU

ARG

THR

LEU

ASN

LYS

SER

ASN

VAL

4

TYR

ALA

LEU

ALA

GLY

SER

LEU

ASN

PRO

5

TYR

LYS

ARG

THR

ILE

MET

ASN

GLU

6

TYR

ARG

ALA

LYS

ALA

LEU

LYS

ASN

7

ASP

PHE

VAL

SER

MET

ALA

ASP

ALA

LYS

VAL

8

ALA

LEU

GLU

LYS

ILE

TYR

LYS

GLU

ILE

ASP

9

GLU

ILE

ASN

ARG

Samples:

sample_1: SCIN-B, [U-13C; U-15N], 800 uM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.0 M; pH: 6.9; pressure: 1 atm; temperature: 273 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 H(CA)CO(CA)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific - chemical shift assignment, collection, data analysis, peak picking, processing

NMR spectrometers:

Varian INOVA 600 MHz

PDB	3T49 3T4A 4H6H 4H6I
DBJ	BAB42254 BAB57321 BAB94906 BAF67342 BAF78032
EMBL	CAG42867 CBI49030 CBX34394 CCW21394 CDP40783
GB	AAW36548 ABD22046 ABD30229 ABQ49016 ABR52094
REF	WP_000669532 WP_000669536 WP_000669537 WP_001633847 WP_023913704