BMRB Entry 4347

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PDB ID: 1qp6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4347
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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:

1H Chemical Shift Assignments and Interproton 3JHNHA Coupling Constants of Alpha2-D, a Nativelike de Novo Designed Four Helix Bundle

Deposition date:

1999-05-12

Original release date:

2008-07-17

Authors:

Hill, R.; DeGrado, William

Citation:

Citation: Hill, R.; DeGrado, William. "Solution Structure of Alpha2D, a Nativelike de Novo Designed Protein" J. Am. Chem. Soc. 120, 1138-1145 (1998).

Assembly members:

Assembly members:
Alpha2D, polymer, 37 residues, 4289.1 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: chemically synthesized

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Alpha2D: XGEVEELEKKFKELWKGPRR GEIEELHKKFHELIKGX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts
coupling_constants
- coupling_constant

Data type	Count
1H chemical shifts	270
coupling constants	27

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	A2D subunit A	1
2	A2D subunit B	1

Entities:

Entity 1, A2D subunit A 37 residues - 4289.1 Da.

1

ACE

GLY

GLU

VAL

GLU

LEU

GLU

LYS

2

PHE

LYS

GLU

LEU

TRP

LYS

GLY

PRO

ARG

3

GLY

GLU

ILE

GLU

LEU

HIS

LYS

PHE

4

HIS

GLU

LEU

ILE

LYS

GLY

NH2

Samples:

sample_one: Alpha2D 2.0 mM; Tris, [U-2H], 50 mM; H2O 90%; D2O 10%

sample_conditions_one: ionic strength: .052 M; pH: 7.3 na; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-1H TOCSY	sample_one	not available	sample_conditions_one
1H-1H DQF-COSY	sample_one	not available	sample_conditions_one
1H-1H E-COSY	sample_one	not available	sample_conditions_one
1H-1H 100ms NOESY	sample_one	not available	sample_conditions_one
1H-1H 200ms NOESY	sample_one	not available	sample_conditions_one
1H-13C HMQC	sample_one	not available	sample_conditions_one

Software:

AZARA - process data

ANSIG v3.3, Per Kraulis - assignments and integration

NMR spectrometers:

Bruker AMX 600.13 MHz