BMRB Entry 26860

Name: Tunicate_EDTA_noCa2+
Published: 2017-02-16

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26860

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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:

Tunicate_EDTA_noCa2+

Deposition date:

2016-07-25

Original release date:

2017-02-16

Authors:

Martin, Rachel; Kozlyuk, Natalia

Citation:

Citation: Kozlyuk, Natalia; Sengupta, Suvrajit; Bierma, Jan; Martin, Rachel. "Calcium Binding Dramatically Stabilizes an Ancestral Crystallin Fold in tunicate beta gamma crystallin" Biochemistry 55, 6961-6968 (2016).
PubMed: 27992995

Assembly members:

Assembly members:
Tunicate_Ca2+free, polymer, 84 residues, 9181.0731 Da.

Natural source:

Natural source: Common Name: vase tunicate Taxonomy ID: 7719 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ciona Intestinalis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Pet28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Tunicate_Ca2+free: MGKIILFEDVEFGGKKLELE TSVSDLNVHGFNDIVSSIIV ESGTWFVFDDEGFSGPSYKL TPGKYPNPGSWGGNDDELSS VKQQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list
spectral_peak_list

Data type	Count
13C chemical shifts	227
15N chemical shifts	79
1H chemical shifts	79

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ciona intestinalis beta gamma crystallin	1

Entities:

Entity 1, Ciona intestinalis beta gamma crystallin 84 residues - 9181.0731 Da.

1

MET

GLY

LYS

ILE

LEU

PHE

GLU

ASP

VAL

2

GLU

PHE

GLY

LYS

LEU

GLU

LEU

GLU

3

THR

SER

VAL

SER

ASP

LEU

ASN

VAL

HIS

GLY

4

PHE

ASN

ASP

ILE

VAL

SER

ILE

VAL

5

GLU

SER

GLY

THR

TRP

PHE

VAL

PHE

ASP

6

GLU

GLY

PHE

SER

GLY

PRO

SER

TYR

LYS

LEU

7

THR

PRO

GLY

LYS

TYR

PRO

ASN

PRO

GLY

SER

8

TRP

GLY

ASN

ASP

GLU

LEU

SER

9

VAL

LYS

GLN

Samples:

sample_1: Tunicate beta gamma crystallin, [U-13C; U-15N], 1.7 mM; Tris 10 mM; EDTA 10 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.010 M; pH: 7.100; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
Expt_5 (H[N[co[{CA\|ca[C]}]]])	sample_1	isotropic	sample_conditions_1
Expt_6 (H[N[ca[CO]]])	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr_Analysis v2.4, CCPN - chemical shift assignment

CcpNmr_Entry_Completion_Interface v2.1, PDBe & CCPN - data deposition

NMR spectrometers:

Varian UnityInova 800 MHz

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