BMRB Entry 18075

Name: NH chemical shift Assignments for AbpSH3 bound to WT Scp1 peptide (Scp17)
Published: 2013-01-03

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18075

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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:

NH chemical shift Assignments for AbpSH3 bound to WT Scp1 peptide (Scp17)

Deposition date:

2011-11-13

Original release date:

2013-01-03

Authors:

Stollar, Elliott; Forman-Kay, Julie

Citation:

Citation: Stollar, Elliott; Lin, Hong; Davidson, Alan; Forman-Kay, Julie. "Differential Dynamic Engagement within 24 SH3 Domain: Peptide Complexes Revealed by Co-Linear Chemical Shift Perturbation Analysis." PLoS ONE 7, e51282-e51282 (2012).
PubMed: 23251481

Assembly members:

Assembly members:
AbpSH3, polymer, 59 residues, Formula weight is not available
Scp17, polymer, 17 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AbpSH3: APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN
Scp17: KKPRPPVKSKPKHLQDG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	64
1H chemical shifts	64

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AbpSH3	1
2	Scp17	2

Entities:

Entity 1, AbpSH3 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, Scp17 17 residues - Formula weight is not available

1

LYS

PRO

ARG

PRO

VAL

LYS

SER

LYS

2

PRO

LYS

HIS

LEU

GLN

ASP

GLY

Samples:

AbpSH3-Scp17: AbpSH3, [U-100% 15N], 100 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; H2O 90%; Scp17 200 uM

sample_conditions_1: ionic strength: 0.189 M; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	AbpSH3-Scp17	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard, Johnson, One Moon Scientific - chemical shift assignment, data analysis

NMR spectrometers:

Varian Unity 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 18076 18077 18078 25354 26519
PDB	1JO8 2K3B 2RPN
DBJ	GAA21988 GAA26669
EMBL	CAA36075 CAA42253 CAY78291 CAA99698 CAY86644
GB	AHN96147 AHV79349 AHY79755 AJP37506 AJQ31991 AHY77634 EDN63685 EDV10925 EDZ69051 EEU07560
PRF	1603360A
REF	NP_010012 NP_015012
SP	P15891 Q08873
TPG	DAA07557 DAA11126
AlphaFold	P15891 Q08873