BMRB Entry 31031

Name: NMR Structure of Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35
Published: 2022-11-17

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PDB ID: 8dij
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31031
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Structure of Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35

Deposition date:

2022-06-29

Original release date:

2022-11-17

Authors:

Rao, S.; Reinert, Z.

Citation:

Citation: Rao, S.; Harmon, T.; Heath, S.; Wolfe, J.; Santhouse, J.; O'Brien, G.; Distefano, A.; Reinert, Z.; Horne, W.. "Chemical Shifts of Artificial Monomers Used to Construct Heterogeneous-Backbone Protein Mimetics in Random Coil and Folded States" to be published ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 57 residues, 6246.825 Da.

Natural source:

Natural source: Common Name: Streptococcus Taxonomy ID: 1301 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DTYKLILNGKTLKGETTTEA VDAXTAEKVFKQYAXDNGVD GEWTYDDATKTFTVTEX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	388

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 57 residues - 6246.825 Da.

1

ASP

THR

TYR

LYS

LEU

ILE

LEU

ASN

GLY

LYS

2

THR

LEU

LYS

GLY

GLU

THR

GLU

ALA

3

VAL

ASP

ALA

XCP

THR

ALA

GLU

B3K

VAL

PHE

4

B3K

GLN

TYR

ALA

XCP

ASP

ASN

GLY

VAL

ASP

5

GLY

GLU

TRP

THR

TYR

ASP

ALA

THR

LYS

6

THR

PHE

THR

VAL

THR

GLU

NH2

Samples:

sample_1: Immunoglobulin G-binding protein G 0.65 mM; sodium phosphate 20 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 40 mM; pH: 7 pH*; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

NMRFAM-SPARKY, Lee, Tonelli, Markley - data analysis

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 700 MHz