BMRB Entry 26849

Name: Spy (29-124)
Published: 2016-11-23

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26849

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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:

Spy (29-124)

Deposition date:

2016-07-13

Original release date:

2016-11-23

Authors:

Salmon, Loic; Ahlstrom, Logan; Horowitz, Scott; Dickson, Alex; Brooks, Charles; Bardwell, James

Citation:

Citation: Salmon, Loic; Ahlstrom, Logan; Horowitz, Scott; Dickson, Alex; Brooks, Charles; Bardwell, James. "Capturing a Dynamic Chaperone-Substrate Interaction Using NMR-Informed Molecular Modeling" J. Am. Chem. Soc. 138, 9826-9839 (2016).
PubMed: 27415450

Assembly members:

Assembly members:
Spy, polymer, 97 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28sumo-spy

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Spy: SFKDLNLTDAQKQQIREIMK GQRDQMKRPPLEERRAMHDI IASDTFDKVKAEAQIAKMEE QRKANMLAHMETQNKIYNIL TPEQKKQFNANFEKRLT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	260
15N chemical shifts	87
1H chemical shifts	87

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Spy, chain 1	1
2	Spy, chain 2	1

Entities:

Entity 1, Spy, chain 1 97 residues - Formula weight is not available

1

SER

PHE

LYS

ASP

LEU

ASN

LEU

THR

ASP

ALA

2

GLN

LYS

GLN

ILE

ARG

GLU

ILE

MET

LYS

3

GLY

GLN

ARG

ASP

GLN

MET

LYS

ARG

PRO

4

LEU

GLU

ARG

ALA

MET

HIS

ASP

ILE

5

ILE

ALA

SER

ASP

THR

PHE

ASP

LYS

VAL

LYS

6

ALA

GLU

ALA

GLN

ILE

ALA

LYS

MET

GLU

7

GLN

ARG

LYS

ALA

ASN

MET

LEU

ALA

HIS

MET

8

GLU

THR

GLN

ASN

LYS

ILE

TYR

ASN

ILE

LEU

9

THR

PRO

GLU

GLN

LYS

GLN

PHE

ASN

ALA

10

ASN

PHE

GLU

LYS

ARG

LEU

THR

Samples:

sample_1: Spy, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 313 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 HCACO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - data analysis

NMR spectrometers:

Varian INOVA 600 MHz

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