BMRB Entry 51240

Name: Backbone resonance assignments of the designed Armadillo repeat protein N(A4)MC(AII) at pH 5.5
Published: 2022-05-31

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51240

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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: Backbone resonance assignments of the designed Armadillo repeat protein N(A4)MC(AII) at pH 5.5 PubMed: 35657362

Deposition date: 2021-12-20 Original release date: 2022-05-31

Authors: Michel, Erich

Citation: Michel, Erich; Cucuzza, Stefano; Mittl, Peer; Zerbe, Oliver; Pluckthun, Andreas. "Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design" Biochemistry 62, 318-329 (2023).

Assembly members:
entity_1, polymer, 116 residues, Formula weight is not available

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pEM3BTC

Entity Sequences (FASTA):
entity_1: GPDLPKLVKLLKSSNEEILL KALRALAEIASGGNEQIQAV IDAGALPALVQLLSSPNEQI LQEALWALSNIASGGNEQKQ AVKEAGALEKLEQLQSHENE KIQKEAQEALEKLQSH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	337
15N chemical shifts	111
1H chemical shifts	111

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N(A4)MC(AII)	1

Entities:

Entity 1, N(A4)MC(AII) 116 residues - Formula weight is not available

1

GLY

PRO

ASP

LEU

PRO

LYS

LEU

VAL

LYS

LEU

2

LEU

LYS

SER

ASN

GLU

ILE

LEU

3

LYS

ALA

LEU

ARG

ALA

LEU

ALA

GLU

ILE

ALA

4

SER

GLY

ASN

GLU

GLN

ILE

GLN

ALA

VAL

5

ILE

ASP

ALA

GLY

ALA

LEU

PRO

ALA

LEU

VAL

6

GLN

LEU

SER

PRO

ASN

GLU

GLN

ILE

7

LEU

GLN

GLU

ALA

LEU

TRP

ALA

LEU

SER

ASN

8

ILE

ALA

SER

GLY

ASN

GLU

GLN

LYS

GLN

9

ALA

VAL

LYS

GLU

ALA

GLY

ALA

LEU

GLU

LYS

10

LEU

GLU

GLN

LEU

GLN

SER

HIS

GLU

ASN

GLU

11

LYS

ILE

GLN

LYS

GLU

ALA

GLN

GLU

ALA

LEU

12

GLU

LYS

LEU

GLN

SER

HIS

Samples:

sample_1: N(A4)MC(AII), [U-98% 13C; U-98% 15N], 0.8 mM; D2O, [U-100% 2H], 5%; sodium phosphate 20 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.092 M; pH: 5.5; pressure: 1 atm; temperature: 310.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CARA - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts