BMRB Entry 6301

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PDB ID: 1u2u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6301
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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:

NMR solution structure of a designed heterodimeric leucine zipper

Deposition date:

2004-08-26

Original release date:

2008-07-16

Authors:

Marti, D.; Bosshard, H.

Citation:

Citation: Marti, D.; Bosshard, H.. "Inverse electrostatic effect: electrostatic repulsion in the unfolded state stabilizes a leucine zipper" Biochemistry 43, 12436-12447 (2004).
PubMed: 15449933

Assembly members:

Assembly members:
LEUCINE ZIPPER CHAIN A, polymer, 32 residues, 3496 Da.
LEUCINE ZIPPER CHAIN B, polymer, 32 residues, 3515 Da.

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):
LEUCINE ZIPPER CHAIN A: XEVAQLEKEVAQLEAENYQL EQEVAQLEHEGX
LEUCINE ZIPPER CHAIN B: XEVQALKKRVQALKARNYAL KQKVQALRHKGX

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
15N chemical shifts	73
1H chemical shifts	392
coupling constants	57

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ACIDIC CHAIN	1
2	BASIC CHAIN	2

Entities:

Entity 1, ACIDIC CHAIN 32 residues - 3496 Da.

1

ACE

GLU

VAL

ALA

GLN

LEU

GLU

LYS

GLU

VAL

2

ALA

GLN

LEU

GLU

ALA

GLU

ASN

TYR

GLN

LEU

3

GLU

GLN

GLU

VAL

ALA

GLN

LEU

GLU

HIS

GLU

4

GLY

NH2

Entity 2, BASIC CHAIN 32 residues - 3515 Da.

1

ACE

GLU

VAL

GLN

ALA

LEU

LYS

ARG

VAL

2

GLN

ALA

LEU

LYS

ALA

ARG

ASN

TYR

ALA

LEU

3

LYS

GLN

LYS

VAL

GLN

ALA

LEU

ARG

HIS

LYS

4

GLY

NH2

Samples:

sample_1: LEUCINE ZIPPER CHAIN A 2.6 mM; LEUCINE ZIPPER CHAIN B 2.6 mM; NaCl 10 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 10 mM; pH: 5.7; pressure: 1 atm; temperature: 310.00 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	sample_1	not available	sample_cond_1
2D TOCSY	sample_1	not available	sample_cond_1
2D NOESY	sample_1	not available	sample_cond_1
2D 1H-15N HSQC	sample_1	not available	sample_cond_1
2D 1H-13C HSQC	sample_1	not available	sample_cond_1

Software:

xwinnmr v3.0 - data collection

FELIX v2000 - data analysis

CNS v1.1 - refinement, structure solution

Procheck v3.4.4 - data analysis

WhatIF v19991018 - data analysis

NMR spectrometers:

BRUKER DRX 600 MHz