BMRB Entry 19061

Name: 1H,13C and 15N resonance assignments of Ca2+ - bound human S100A15
Published: 2015-07-24

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19061

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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 and 15N resonance assignments of Ca2+ - bound human S100A15 PubMed: 22392334

Deposition date: 2013-02-27 Original release date: 2015-07-24

Authors: Cho, Ching Chang; Yu, Chin

Citation: Penumutchu, Srinivasa; Mohan, Sepuru; Yu, Chin. "(1)H, (15)N and (13)C assignments of the calcium bound S100P." Biomol. NMR Assignments 7, 5-8 (2013).

Assembly members:
S100A15, polymer, 92 residues, 10696.9961 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET(15b)

Entity Sequences (FASTA):
S100A15: MTKLEEHLEGIVNIFHQYSS RVGHFDTLSKGELKQLLTKE LANTIKNIKDKAVIDEIFQG LDANQDEQVTFQEFISLVAI ALKAAHYHTHKE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	305
15N chemical shifts	76
1H chemical shifts	472

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	S100A15	1

Entities:

Entity 1, S100A15 92 residues - 10696.9961 Da.

1

MET

THR

LYS

LEU

GLU

HIS

LEU

GLU

GLY

2

ILE

VAL

ASN

ILE

PHE

HIS

GLN

TYR

SER

3

ARG

VAL

GLY

HIS

PHE

ASP

THR

LEU

SER

LYS

4

GLY

GLU

LEU

LYS

GLN

LEU

THR

LYS

GLU

5

LEU

ALA

ASN

THR

ILE

LYS

ASN

ILE

LYS

ASP

6

LYS

ALA

VAL

ILE

ASP

GLU

ILE

PHE

GLN

GLY

7

LEU

ASP

ALA

ASN

GLN

ASP

GLU

GLN

VAL

THR

8

PHE

GLN

GLU

PHE

ILE

SER

LEU

VAL

ALA

ILE

9

ALA

LEU

LYS

ALA

HIS

TYR

HIS

THR

HIS

10

LYS

GLU

Samples:

sample_1: S100A15, [U-100% 13C; U-100% 15N], 1.0 mM; TRIS 10 mM; sodium chloride 100 mM; Calcium chloride 10 mM; sodium azide 0.1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	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 HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

VNMR, Varian - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis

NMR spectrometers:

Varian VNMR 700 MHz

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