BMRB Entry 5687

Name: Stably folded de novo proteins from a designed combinatorial library
Published: 2007-11-30

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5687

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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: Stably folded de novo proteins from a designed combinatorial library

Deposition date: 2003-02-04 Original release date: 2007-11-30

Authors: Hecht, Michael; Wei, Yinan

Citation: Wei, Yinan; Fela, David; Kim, Seho; Hecht, Michael; Baum, Jean. "Letter to the Editor: 1H, 13C and 15N resonance assignments of S-824, a de novo four_helix bundle from a designed combinatorial library" J. Biomol. NMR 27, 395-396 (2003).

Assembly members:
de novo protein, polymer, 102 residues, 11928 Da.

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
de novo protein: MYGKLNDLLEDLQEVLKNLH KNWHGGKDNLHDVDNHLQNV IEDIHDFMQGGGSGGKLQEM MKEFQQVLDELNNHLQGGKH TVHHIEQNIKEIFHHLEELV HR

Data sets:

assigned_chemical_shifts
- shift_set_1
heteronucl_NOEs
- heteronuclear_NOE_set_500_1
- heteronuclear_NOE_set_600_1
heteronucl_T1_relaxation
- 15N_T1_set_500_1
- 15N_T1_set_600_1
heteronucl_T2_relaxation
- 15N_T2_set_500_1
- 15N_T2_set_600_1

Data type	Count
13C chemical shifts	414
15N chemical shifts	119
1H chemical shifts	718
T1 relaxation values	202
T2 relaxation values	202

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	s824 monomer	1

Entities:

Entity 1, s824 monomer 102 residues - 11928 Da.

1

MET

TYR

GLY

LYS

LEU

ASN

ASP

LEU

GLU

2

ASP

LEU

GLN

GLU

VAL

LEU

LYS

ASN

LEU

HIS

3

LYS

ASN

TRP

HIS

GLY

LYS

ASP

ASN

LEU

4

HIS

ASP

VAL

ASP

ASN

HIS

LEU

GLN

ASN

VAL

5

ILE

GLU

ASP

ILE

HIS

ASP

PHE

MET

GLN

GLY

6

GLY

SER

GLY

LYS

LEU

GLN

GLU

MET

7

MET

LYS

GLU

PHE

GLN

VAL

LEU

ASP

GLU

8

LEU

ASN

HIS

LEU

GLN

GLY

LYS

HIS

9

THR

VAL

HIS

ILE

GLU

GLN

ASN

ILE

LYS

10

GLU

ILE

PHE

HIS

LEU

GLU

LEU

VAL

11

HIS

ARG

Samples:

sample_1: de novo protein, [U-13C; U-15N], 2.0 mM

Ex-cond_1: ionic strength: 0.05 M; pH: 4.0; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N NOESY	sample_1	not available	Ex-cond_1
1H-13C NOESY	sample_1	not available	Ex-cond_1
HNCA	sample_1	not available	Ex-cond_1
HN(CO)CA	sample_1	not available	Ex-cond_1
HNCO	sample_1	not available	Ex-cond_1
HN(CA)CO	sample_1	not available	Ex-cond_1
CBCANH	sample_1	not available	Ex-cond_1
CBCA(CO)NH	sample_1	not available	Ex-cond_1
1H-15N TOCSY	sample_1	not available	Ex-cond_1
1H-13C TOCSY	sample_1	not available	Ex-cond_1

Software:

No software information available

NMR spectrometers:

Varian INOVA 600 MHz

Biological Magnetic Resonance Data Bank