BMRB Entry 19591

Name: Aliphatic 13C Chemical Shift Assignments For the Intermediate State of the FF Domain L24A Mutant
Published: 2014-02-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19591

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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:

Aliphatic 13C Chemical Shift Assignments For the Intermediate State of the FF Domain L24A Mutant

Deposition date:

2013-10-30

Original release date:

2014-02-11

Authors:

Bouvignies, Guillaume; Vallurupalli, Pramodh; Kay, Lewis

Citation:

Citation: Bouvignies, Guillaume; Vallurupalli, Pramodh; Kay, Lewis. "Visualizing side chains of invisible protein conformers by solution NMR." J. Mol. Biol. 426, 763-774 (2014).
PubMed: 24211467

Assembly members:

Assembly members:
FF_domain_L24A_mutant, polymer, 71 residues, 8194.3 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FF_domain_L24A_mutant: GSQPAKKTYTWNTKEEAKQA FKEALKEKRVPSNASWEQAM KMIINDPRYSALAKLSEKKQ AFNAYKVQTEK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	203

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FF domain L24A mutant, 1	1
2	FF domain L24A mutant, 2	1

Entities:

Entity 1, FF domain L24A mutant, 1 71 residues - 8194.3 Da.

1

GLY

SER

GLN

PRO

ALA

LYS

THR

TYR

THR

2

TRP

ASN

THR

LYS

GLU

ALA

LYS

GLN

ALA

3

PHE

LYS

GLU

ALA

LEU

LYS

GLU

LYS

ARG

VAL

4

PRO

SER

ASN

ALA

SER

TRP

GLU

GLN

ALA

MET

5

LYS

MET

ILE

ASN

ASP

PRO

ARG

TYR

SER

6

ALA

LEU

ALA

LYS

LEU

SER

GLU

LYS

GLN

7

ALA

PHE

ASN

ALA

TYR

LYS

VAL

GLN

THR

GLU

8

LYS

Samples:

sample_1: FF domain L24A mutant, [U-100% 13C; U-100% 15N], 2.0 mM; sodium acetate 50 mM; EDTA 0.5 mM; sodium azide 0.02%; sodium chloride 100 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: pH: 5.7; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D aliphatic 13C CEST	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v7.5 Rev 2012.204.11.07, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	17489 18010 26520
PDB	1UZC 2KZG 2L9V 2LKS
DBJ	BAB15016 BAG60744
GB	AAC27501 AAC27506 AAD39463 AAH11788 AAH29414
REF	NP_001099950 NP_001231502 NP_060362 NP_061255 XP_001365479
SP	O75400 Q9R1C7
TPG	DAA32724
AlphaFold	O75400 Q9R1C7