BMRB Entry 15918

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for M-crystallin (calcium bound form) in presence of 4 M Gdn-Hcl
Published: 2009-03-23

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15918

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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 M-crystallin (calcium bound form) in presence of 4 M Gdn-Hcl

Deposition date:

2008-08-13

Original release date:

2009-03-23

Authors:

Barnwal, Ravi Pratap; Agarwal, Geetika P; Chary, Kandala VR

Citation:

Citation: Barnwal, Ravi; Agarwal, Geetika; Sharma, Yogendra; Chary, Kandala. "Complete backbone assignment of a Ca2+-binding protein of the betagamma-crystallin superfamily from Methanosarcina acetivorans, at two denaturant concentrations" Biomol. NMR Assignments 3, 107-110 (2009).
PubMed: 19636958

Assembly members:

Assembly members:
M-crystallin_(calcium_bound)_in_presence_of_4M_Gdn-HCl, polymer, 85 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
M-crystallin_(calcium_bound)_in_presence_of_4M_Gdn-HCl: MNAAEVIVYEHVNFGGKSFD ATSDQPGAGDNLNDKISSIK VKSGTWRFYEYINYGGRYWD LGPGEYSSVESAGIPDNSIS SFRQI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	208
15N chemical shifts	80
1H chemical shifts	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1
2	CALCIUM ION	2

Entities:

Entity 1, subunit 1 85 residues - Formula weight is not available

1

MET

ASN

ALA

GLU

VAL

ILE

VAL

TYR

GLU

2

HIS

VAL

ASN

PHE

GLY

LYS

SER

PHE

ASP

3

ALA

THR

SER

ASP

GLN

PRO

GLY

ALA

GLY

ASP

4

ASN

LEU

ASN

ASP

LYS

ILE

SER

ILE

LYS

5

VAL

LYS

SER

GLY

THR

TRP

ARG

PHE

TYR

GLU

6

TYR

ILE

ASN

TYR

GLY

ARG

TYR

TRP

ASP

7

LEU

GLY

PRO

GLY

GLU

TYR

SER

VAL

GLU

8

SER

ALA

GLY

ILE

PRO

ASP

ASN

SER

ILE

SER

9

SER

PHE

ARG

GLN

ILE

Entity 2, CALCIUM ION - Ca - 40.078 Da.

1

CA

Samples:

sample_1: M-crystallin, [U-99% 13C; U-99% 15N], 1.2 mM; Ca2+ 6-10 mM; Gdn-Hcl 4000 mM

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 298 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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

CARA v1.8.3, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz

BMRB	15934
PDB	2K1W 2K1X 3HZ2
GB	AAM05909
REF	WP_048065429