BMRB Entry 7017

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7017

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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- and 15N-amide chemical shifts of apo-, (Ca2+)1- and (Ca2+)2-Eq04Q TR2C of bovine calmodulin, at 301K and pH 6.0.

Deposition date:

2005-08-24

Original release date:

2013-02-15

Authors:

Evenas, Johan; Malmendal, Anders; Thulin, Eva; Carlstrom, Goran; Forsen, Sture

Citation:

Citation: Evenas, Johan; Malmendal, Anders; Thulin, Eva; Carlstrom, Goran; Forsen, Sture. "Ca2+ binding and conformational changes in a calmodulin domain." (1998).
PubMed: 9753463

Assembly members:

Assembly members:
TR2C, polymer, 73 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: Bovine Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TR2C: MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEQFVQMMTAK

Data sets:

assigned_chemical_shifts
- TR2C_chem_shift

Data type	Count
15N chemical shifts	71
1H chemical shifts	71

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	E104Q TR2C	1
2	Calcium ion, 1	2
3	Calcium ion, 2	2

Entities:

Entity 1, E104Q TR2C 73 residues - Formula weight is not available

1

MET

LYS

ASP

THR

ASP

SER

GLU

ILE

2

ARG

GLU

ALA

PHE

ARG

VAL

PHE

ASP

LYS

ASP

3

GLY

ASN

GLY

TYR

ILE

SER

ALA

GLU

LEU

4

ARG

HIS

VAL

MET

THR

ASN

LEU

GLY

GLU

LYS

5

LEU

THR

ASP

GLU

VAL

ASP

GLU

MET

ILE

6

ARG

GLU

ALA

ASP

ILE

ASP

GLY

ASP

GLY

GLN

7

VAL

ASN

TYR

GLU

GLN

PHE

VAL

GLN

MET

8

THR

ALA

LYS

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

1

CA

Samples:

sample_1: TR2C, [U-15N], 1.16 mM; NaN3 0.1 mM; KOH 0.1 mM; HCl 0.1 mM; CaCl2 * H2O 2.32 mM

conditions_1: pH: 6.0; temperature: 301 K

Experiments:

Name	Sample	Sample state	Sample conditions

Software:

No software information available

NMR spectrometers:

Varian UNITY PLUS 600 MHz

BMRB	11440 16994 17881 17981 17982 17983 18084 18323 19376 25344 6789 7016 7190
PDB	1CMF 1CMG 1F71 1FW4 1J7P 1YRT 1YRU 1ZOT 2COL 2HF5 2K3S 2KUH 2KZ2 2LLQ 2LQP 2RRT 4BYA
DBJ	BAC39089 BAF45809 BAI66109 BAI66110 BAI66111
EMBL	CAB51566
GB	AAH10730 AAO17827 AAQ14324 AAX61134 AAY87961
REF	XP_001687795 XP_001869425 XP_007442524 XP_010190430