BMRB Entry 18711

Name: TBA
Published: 2013-06-10

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PDB ID: 4ba8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18711
MolProbity Validation Chart

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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:

TBA

Deposition date:

2012-09-12

Original release date:

2013-06-10

Authors:

Mueller, R.; Kern, Thomas; Graewert, M.; Madl, T.; Peschek, J.; Groll, M.

Citation:

Citation: Mueller, R.; Kern, Thomas; Graewert, M.; Madl, T.; Peschek, J.; Groll, M.. "TBA" .

Assembly members:

Assembly members:
CH3CS, polymer, 102 residues, 11252.8084 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CH3CS: MGDILTFTIPPSFADIFLSK SANLTCLVSNLATYETLNIS WASQSGEPLETKIKVMESHP NGTFSAKGVASVSVEDWNNR KEFVCTVTHRDLPSPQKKFI SK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	311
15N chemical shifts	95
1H chemical shifts	639

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CH3CS	1

Entities:

Entity 1, CH3CS 102 residues - 11252.8084 Da.

1

MET

GLY

ASP

ILE

LEU

THR

PHE

THR

ILE

PRO

2

PRO

SER

PHE

ALA

ASP

ILE

PHE

LEU

SER

LYS

3

SER

ALA

ASN

LEU

THR

CYS

LEU

VAL

SER

ASN

4

LEU

ALA

THR

TYR

GLU

THR

LEU

ASN

ILE

SER

5

TRP

ALA

SER

GLN

SER

GLY

GLU

PRO

LEU

GLU

6

THR

LYS

ILE

LYS

VAL

MET

GLU

SER

HIS

PRO

7

ASN

GLY

THR

PHE

SER

ALA

LYS

GLY

VAL

ALA

8

SER

VAL

SER

VAL

GLU

ASP

TRP

ASN

ARG

9

LYS

GLU

PHE

VAL

CYS

THR

VAL

THR

HIS

ARG

10

ASP

LEU

PRO

SER

PRO

GLN

LYS

PHE

ILE

11

SER

LYS

Samples:

sample_new_1: CH3CS, [U-13C; U-15N], 0.3 mM

sample_conditions_new_1: ionic strength: 50.000 mM; pH: 6.800; pressure: 1 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N HSQC	sample_new_1	solution	sample_conditions_new_1
13C HSQC	sample_new_1	solution	sample_conditions_new_1
15N NOESY	sample_new_1	solution	sample_conditions_new_1
13C NOESY ALIPHATICS	sample_new_1	solution	sample_conditions_new_1
13C NOESY AROMATICS	sample_new_1	solution	sample_conditions_new_1

Software:

AutoDep v4.3, PDBe - chemical shift assignment

ANALYSIS v2., CCPN - data analysis

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

CYANA vany, Guntert, Mumenthaler and Wuthrich - data analysis

NMRPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

SPARKY vany, Goddard - chemical shift assignment

ARIA, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

NMR spectrometers:

BRUKER AVANCE 600 MHz