BMRB Entry 15206

Name: Differences in the electrostatic surfaces of the type III secretion needle proteins
Published: 2007-10-24

Click here to enlarge.

PDB ID: 2jow
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15206
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Differences in the electrostatic surfaces of the type III secretion needle proteins

Deposition date:

2007-04-06

Original release date:

2007-10-24

Authors:

Wang, Yu; Ouellette, Andrew; Egan, Chet; De Guzman, Roberto

Citation:

Citation: Wang, Yu; Ouellette, Andrew; Egana, Chet; Rathinavelana, Thenmalarchelvi; Ima, Wonpil; De Guzman, Roberto. "Differences in the electrostatic surfaces of the type III secretion needle proteins PrgI, BsaL, and MxiH." J. Mol. Biol. 371, 1304-1314 (2007).
PubMed: 17617421

Assembly members:

Assembly members:
needle monomer, polymer, 83 residues, 9279.383 Da.

Natural source:

Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 602 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella typhimurium

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
needle monomer: MATPWSGYLDDVSAKFDTGV DNLQTQVTEALDKLAAKPSD PALLAAYQSKLSEYNLYRNA QSNTVKVFKDIDAAILEHHH HHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	297
15N chemical shifts	71
1H chemical shifts	477

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	needle monomer	1

Entities:

Entity 1, needle monomer 83 residues - 9279.383 Da.

1

MET

ALA

THR

PRO

TRP

SER

GLY

TYR

LEU

ASP

2

ASP

VAL

SER

ALA

LYS

PHE

ASP

THR

GLY

VAL

3

ASP

ASN

LEU

GLN

THR

GLN

VAL

THR

GLU

ALA

4

LEU

ASP

LYS

LEU

ALA

LYS

PRO

SER

ASP

5

PRO

ALA

LEU

ALA

TYR

GLN

SER

LYS

6

LEU

SER

GLU

TYR

ASN

LEU

TYR

ARG

ASN

ALA

7

GLN

SER

ASN

THR

VAL

LYS

VAL

PHE

LYS

ASP

8

ILE

ASP

ALA

ILE

LEU

GLU

HIS

9

HIS

Samples:

sample_1: entity 0.8 mM

sample_conditions_1: ionic strength: 70 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

Bruker Avance 800 MHz

PDB	2JOW
GB	AHS51581 ERF90330 ERG01985 KLT33237 KMJ71568