BMRB Entry 16777

Name: nmr chemical shift of hahellin in 8 M urea
Published: 2012-08-03

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16777

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

nmr chemical shift of hahellin in 8 M urea

Deposition date:

2010-03-13

Original release date:

2012-08-03

Authors:

Chary, Kandala; Srivastava, Atul

Citation:

Citation: Chary, Kandala; Srivastava, Atul. "sequence specific resonance assignment of hahellin in 8 M urea" .

Assembly members:

Assembly members:
hahellin, polymer, 92 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Hahella chejuensis Taxonomy ID: 158327 Superkingdom: Bacteria Kingdom: not available Genus/species: Hahella chejuensis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hahellin: MGEKTVKLYEDTHFKGYSVE LPVGDYNLSSLISRGALNDD LSSARVPSGLRLEVFQHNNF KGVRDFYTSDAAELSRDNDA SSVRVSKMETTN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	240
15N chemical shifts	82
1H chemical shifts	296

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	beta gmma-crystallin domain	1

Entities:

Entity 1, beta gmma-crystallin domain 92 residues - Formula weight is not available

1

MET

GLY

GLU

LYS

THR

VAL

LYS

LEU

TYR

GLU

2

ASP

THR

HIS

PHE

LYS

GLY

TYR

SER

VAL

GLU

3

LEU

PRO

VAL

GLY

ASP

TYR

ASN

LEU

SER

4

LEU

ILE

SER

ARG

GLY

ALA

LEU

ASN

ASP

5

LEU

SER

ALA

ARG

VAL

PRO

SER

GLY

LEU

6

ARG

LEU

GLU

VAL

PHE

GLN

HIS

ASN

PHE

7

LYS

GLY

VAL

ARG

ASP

PHE

TYR

THR

SER

ASP

8

ALA

GLU

LEU

SER

ARG

ASP

ASN

ASP

ALA

9

SER

VAL

ARG

VAL

SER

LYS

MET

GLU

THR

10

THR

ASN

Samples:

sample_1: hahellin, [U-100% 15N], 800 uM; D2O, [U-2H], 8%; TRIS 10 mM; sodium chloride 300 mM; calcium chloride 20 mM; H2O 92%; Urea 8 M

sample_2: hahellin, [U-100% 13C; U-100% 15N], 700 uM; D2O 8%; TRIS 10 mM; sodium chloride 300 mM; calcium chloride 20 mM; Urea 8 M; H2O 92%

sample_conditions_1: pH: 6.75; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

FELIX, Accelrys Software Inc. - chemical shift calculation, processing

CARA, (CANTINA) Verlag Goldau - chemical shift assignment

VNMR, Varian - collection

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz

BMRB	15743 18446
PDB	2KP5
GB	ABC29838
REF	WP_011396907