BMRB Entry 17223

Name: Measurement of bond vector orientations in invisible excited states of proteins
Published: 2010-11-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17223

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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:

Measurement of bond vector orientations in invisible excited states of proteins

Deposition date:

2010-09-29

Original release date:

2010-11-10

Authors:

Vallurupalli, Pramodh; Hansen, D.; Stollar, Elliott; Meirovitch, Eva; Kay, Lewis

Citation:

Citation: Vallurupalli, Pramodh; Hansen, D.; Stollar, Elliott; Meirovitch, Eva; Kay, Lewis. "Measurement of bond vector orientations in invisible excited states of proteins" Proc. Natl. Acad. Sci. U.S.A. 104, 18473-18477 (2007).
PubMed: 18006656

Assembly members:

Assembly members:
Ark1p, polymer, 17 residues, Formula weight is not available
SH3, polymer, 59 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Escherichia coli Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ark1p: KKTKPTPPPKPSHLKPK
SH3: APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN

Data sets:

chemical rates

Data type	Count
binding constants	1
kinetic rates	1

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ark1p	1
2	SH3	2

Entities:

Entity 1, Ark1p 17 residues - Formula weight is not available

1

LYS

THR

LYS

PRO

THR

PRO

LYS

2

PRO

SER

HIS

LEU

LYS

PRO

LYS

Entity 2, SH3 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

Samples:

sample_1: Ark1p 6.8%; SH3, [U-15N, 90% U2H], 1.3 mM; sodium phosphate 50 mM; sodium chloride 100 mM; EDTA 1 mM; sodium azide 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: ambient atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N TROSY-HSQC	sample_1	isotropic	sample_conditions_1

Software:

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

FuDA, D. Flemming Hansen - data analysis, peak picking

NMR spectrometers:

na na 500 MHz
na na 800 MHz

PDB	2RPN 1JO8 2K3B 2RPN
DBJ	GAA26063 GAA21988
EMBL	CAA95882 CAA36075 CAA42253 CAY78291
GB	AHY77072 AJP41309 AJT01746 AJT02116 AJT02860 AHN96147 AHV79349 AHY79755 EDN62198 EDV09772
REF	NP_014378 NP_010012 XP_011102734
SP	P53974 P15891
TPG	DAA10525 DAA07557
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
PRF	1603360A
AlphaFold	P53974 P15891