BMRB Entry 6583

Name: 1H, 13C, and 15N NMR Sequence-specific Resonance Assignments for Rat Ca2+-S100A1
Published: 2005-11-01

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6583

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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 NMR Sequence-specific Resonance Assignments for Rat Ca2+-S100A1

Deposition date:

2005-04-07

Original release date:

2005-11-01

Authors:

Wright, Nathan; Varney, Kristen; Ellis, Karen; Gitti, Rossitza; Zimmer, Danna; Weber, David

Citation:

Citation: Wright, Nathan; Varney, Kristen; Ellis, Karen; Markowitz, J.; Gitti, Rossitza; Zimmer, Danna; Weber, David. "The Three-dimensional Solution Structure of Ca(2+)-bound S100A1 as Determined by NMR Spectroscopy" J. Mol. Biol. 353, 410-426 (2005).
PubMed: 16169012

Assembly members:

Assembly members:
S100A1, polymer, 94 residues, 10545 Da.
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
S100A1: MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKDLLQT ELSSFKDVQKDADAVDKIMK ELDENGDGEVDFQEFVVLVA ALTVACNNFFWENS

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	285
15N chemical shifts	93
1H chemical shifts	531

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	S100A1, chain 1	1
2	S100A1, chain 2	1
3	Calcium, 1	2
4	Calcium, 2	2
5	Calcium, 3	2
6	Calcium, 4	2

Entities:

Entity 1, S100A1, chain 1 94 residues - 10545 Da.

1

MET

GLY

SER

GLU

LEU

GLU

THR

ALA

MET

GLU

2

THR

LEU

ILE

ASN

VAL

PHE

HIS

ALA

HIS

SER

3

GLY

LYS

GLU

GLY

ASP

LYS

TYR

LYS

LEU

SER

4

LYS

GLU

LEU

LYS

ASP

LEU

GLN

THR

5

GLU

LEU

SER

PHE

LYS

ASP

VAL

GLN

LYS

6

ASP

ALA

ASP

ALA

VAL

ASP

LYS

ILE

MET

LYS

7

GLU

LEU

ASP

GLU

ASN

GLY

ASP

GLY

GLU

VAL

8

ASP

PHE

GLN

GLU

PHE

VAL

LEU

VAL

ALA

9

ALA

LEU

THR

VAL

ALA

CYS

ASN

PHE

10

TRP

GLU

ASN

SER

Entity 2, Calcium, 1 - Ca - 40.078 Da.

1

CA

Name	Sample	Sample state	Sample conditions
1H15N_HSQC	not available	isotropic	conditions_1
3D 15N_CBCA(CO)NH	not available	not available	conditions_1
3D 15N_HNCACB	not available	not available	conditions_1
3D 15N_edited_HOHAHA-HSQC	not available	not available	conditions_1
3D 15N_edited_NOESY-HSQC	not available	not available	conditions_1
3D 15N_edited HMQC-NOESY-HSQC	not available	not available	conditions_1
3D 15N_edited HNHA	not available	not available	conditions_1
3D 15N_edited_HNCO	not available	not available	conditions_1
3D 15N_edited C(CO)NH	not available	not available	conditions_1

BMRB	15704 16050 4285
PDB	1K2H 1ZFS 2K2F 2KBM
GB	AAB53657 EDM00555
REF	NP_001007637 XP_006232665
SP	P35467
AlphaFold	P35467

BMRB Entry 6583

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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