BMRB Entry 18772

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

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18772

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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-A

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-A, 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-A: STSLPTSNEYQNEKLANELK SLLDELNVNELATGSLNTYY KRTIKISGQKAMYALKSKDF KKMSEAKYQLQKIYNEIDEA LKSKY

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	240
15N chemical shifts	78
1H chemical shifts	78
heteronuclear NOE values	84
T1 relaxation values	63
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-A	1

Entities:

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

1

SER

THR

SER

LEU

PRO

THR

SER

ASN

GLU

TYR

2

GLN

ASN

GLU

LYS

LEU

ALA

ASN

GLU

LEU

LYS

3

SER

LEU

ASP

GLU

LEU

ASN

VAL

ASN

GLU

4

LEU

ALA

THR

GLY

SER

LEU

ASN

THR

TYR

5

LYS

ARG

THR

ILE

LYS

ILE

SER

GLY

GLN

LYS

6

ALA

MET

TYR

ALA

LEU

LYS

SER

LYS

ASP

PHE

7

LYS

MET

SER

GLU

ALA

LYS

TYR

GLN

LEU

8

GLN

LYS

ILE

TYR

ASN

GLU

ILE

ASP

GLU

ALA

9

LEU

LYS

SER

LYS

TYR

Samples:

sample_1: SCIN-A, [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 HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D H(CA)CO(CA)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

NMRDraw, 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	2QFF 2WIN 3L3O 3L5N 3NMS 3OHX
DBJ	BAB43028 BAB58104 BAB95749 BAF68148 BAF78810
EMBL	CAG41021 CAG43672 CBI49810 CBX35157 CCE59622
GB	AAL82379 ABD22701 ABD31213 ABF73224 ABQ49783
REF	NP_803404 NP_835579 WP_000702262 WP_000702263 WP_001591359
SP	A6QIG6 A7X482 Q2FFF8 Q2FWV6 Q6G7Z2
AlphaFold	A6QIG6 A7X482 Q2FFF8 Q2FWV6 Q6G7Z2