BMRB Entry 4126

Name: Solution Structure and Dynamics of a De Novo Designed Three-helix Bundle Protein
Published: 2001-02-27

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4126

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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:

Solution Structure and Dynamics of a De Novo Designed Three-helix Bundle Protein

Deposition date:

1998-03-19

Original release date:

2001-02-27

Authors:

Walsh, Scott; Cheng, Hong; Bryson, James; Roder, Heinrich; DeGrado, William

Citation:

Citation: Walsh, Scott; Cheng, Hong; Bryson, James; Roder, Heinrich; DeGrado, William. "Solution Structure and Dynamics of a De Novo Designed Three-helix Bundle Protein" Proc. Natl. Acad. Sci. U. S. A. 96, 5486-5491 (1999).

Assembly members:

Assembly members:
a3D, polymer, 73 residues, 7977 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
a3D: MGSWAEFKQRLAAIKTRLQA LGGSEAELAAFEKEIAAFES ELQAYKGKGNPEVEALRKEA AAIRDELQAYRHN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_one

Data type	Count
13C chemical shifts	312
15N chemical shifts	75
1H chemical shifts	493

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	three helix bundle	1

Entities:

Entity 1, three helix bundle 73 residues - 7977 Da.

1

MET

GLY

SER

TRP

ALA

GLU

PHE

LYS

GLN

ARG

2

LEU

ALA

ILE

LYS

THR

ARG

LEU

GLN

ALA

3

LEU

GLY

SER

GLU

ALA

GLU

LEU

ALA

4

PHE

GLU

LYS

GLU

ILE

ALA

PHE

GLU

SER

5

GLU

LEU

GLN

ALA

TYR

LYS

GLY

LYS

GLY

ASN

6

PRO

GLU

VAL

GLU

ALA

LEU

ARG

LYS

GLU

ALA

7

ALA

ILE

ARG

ASP

GLU

LEU

GLN

ALA

TYR

8

ARG

HIS

ASN

Samples:

sample_one: a3D, [U-15N; U-13C], 3 mM; deuterated acetate 50 mM; sodium azide 0.05%

sample_conditions_one: pH: 5.0 na; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions

Software:

No software information available

NMR spectrometers:

Bruker DMX 600 MHz