BMRB Entry 26519

Name: Studying Invisible Excited Protein States in Slow Exchange with a Major State Conformation
Published: 2015-03-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26519

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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:

Studying Invisible Excited Protein States in Slow Exchange with a Major State Conformation

Deposition date:

2015-02-24

Original release date:

2015-03-09

Authors:

Vallurupalli, Pramodh; Bouvignies, Guillaume; Kay, Lewis

Citation:

Citation: Vallurupalli, Pramodh; Bouvignies, Guillaume; Kay, Lewis. "Studying Invisible Excited Protein States in Slow Exchange with a Major State Conformation" J. Am. Chem. Soc. 134, 8148-8161 (2012).
PubMed: 22554188

Assembly members:

Assembly members:
Abp1p, polymer, 59 residues, Formula weight is not available
Ark1p, polymer, 17 residues, Formula weight is not available

Natural source:

Natural source: Common Name: bakers yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Abp1p: APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN
Ark1p: KKTKPTPPPKPSHLKPK

Data sets:

heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_G_State
- heteronuclear_T2_list_E_State

Data type	Count
T1 relaxation values	56
T2 relaxation values	112

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Abp1p	1
2	Ark1p	2

Entities:

Entity 1, Abp1p 59 residues - Formula weight is not available

1

ALA

PRO

TRP

ALA

THR

ALA

GLU

TYR

ASP

TYR

2

ASP

ALA

GLU

ASP

ASN

GLU

LEU

THR

PHE

3

VAL

GLU

ASN

ASP

LYS

ILE

ASN

ILE

GLU

4

PHE

VAL

ASP

TRP

LEU

GLY

GLU

5

LEU

GLU

LYS

ASP

GLY

SER

LYS

GLY

LEU

PHE

6

PRO

SER

ASN

TYR

VAL

SER

LEU

GLY

ASN

Entity 2, Ark1p 17 residues - Formula weight is not available

1

LYS

THR

LYS

PRO

THR

PRO

LYS

2

PRO

SER

HIS

LEU

LYS

PRO

LYS

Samples:

sample_1: Abp1p SH3 domain, [U-100% 2H; U-100% 15N], 1.5 mM; Ark1p peptide 1.46 mM; sodium phosphate 50 mM; NaCl 100 mM; EDTA 1 mM; NaN3 1 mM; H20 90%; D2O 10%

sample_2: Abp1p SH3 domain, [U-100% 2H; U-100% 15N], 1.5 mM; Ark1p peptide 1.5 mM; sodium phosphate 50 mM; NaCl 100 mM; EDTA 1 mM; NaN3 1 mM; H20 90%; D2O 10%

sample_conditions_1: temperature: 274 K; pH: 7.0; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC 1	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC 2	sample_2	isotropic	sample_conditions_1
2D 1H-15N HMQC 1	sample_1	isotropic	sample_conditions_1
2D 1H-15N HMQC 2	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - Visualization

CATIA, Bloch McConnell - data analysis

NMR spectrometers:

Varian Inova 500 MHz

BMRB	16843 18054 18055 18056 18057 18058 18059 18060 18061 18062 18063 18064 18065 18066 18067 18068 18069 18070 18071 18072 18073 18074 18075 18076 18077 18078 25354
PDB	1JO8 2K3B 2RPN
DBJ	GAA21988
EMBL	CAA36075 CAA42253 CAY78291
GB	AHN96147 AHV79349 AHY79755 AJP37506 AJQ31991
PRF	1603360A
REF	NP_010012
SP	P15891
TPG	DAA07557
AlphaFold	P15891