BMRB Entry 18484

Name: Conformational analysis of StrH, the surface-attached exo- -D-N-acetylglucosaminidase from Streptococcus pneumoniae.
Published: 2012-11-27

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PDB ID: 2ltj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18484
MolProbity Validation Chart

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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:

Conformational analysis of StrH, the surface-attached exo- -D-N-acetylglucosaminidase from Streptococcus pneumoniae.

Deposition date:

2012-05-28

Original release date:

2012-11-27

Authors:

Pluvinage, Benjamin; Chitayat, Seth; Ficko-Blean, Elizabeth; Abbott, D. Wade; Kunjachen, Jobby Maroor; Grondin, Julie; Spencer, Holly; Smith, Steven; Boraston, Alisdair

Citation:

Citation: Pluvinage, Benjamin; Chitayat, Seth; Ficko-Blean, Elizabeth; Abbott, D. Wade; Kunjachen, Jobby Maroor; Grondin, Julie; Spencer, Holly; Smith, Steven; Boraston, Alisdair. "Conformational Analysis of StrH, the Surface-Attached exo--d-N-Acetylglucosaminidase from Streptococcus pneumoniae." J. Mol. Biol. 425, 334-349 (2013).
PubMed: 23154168

Assembly members:

Assembly members:
entity, polymer, 111 residues, 12154.605 Da.

Natural source:

Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MGSSHHHHHSSGLVPRGSHM SLDENEVAANVETRPELITR TEEIPFEVIKKENPNLPAGQ ENIITAGVKGERTHYISVLT ENGKTTETVLDSQVTKEVIN QVVEVGAPVTH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	309
15N chemical shifts	101
1H chemical shifts	679

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	G5	1

Entities:

Entity 1, G5 111 residues - 12154.605 Da.

1

MET

GLY

SER

HIS

SER

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

MET

3

SER

LEU

ASP

GLU

ASN

GLU

VAL

ALA

ASN

4

VAL

GLU

THR

ARG

PRO

GLU

LEU

ILE

THR

ARG

5

THR

GLU

ILE

PRO

PHE

GLU

VAL

ILE

LYS

6

LYS

GLU

ASN

PRO

ASN

LEU

PRO

ALA

GLY

GLN

7

GLU

ASN

ILE

THR

ALA

GLY

VAL

LYS

GLY

8

GLU

ARG

THR

HIS

TYR

ILE

SER

VAL

LEU

THR

9

GLU

ASN

GLY

LYS

THR

GLU

THR

VAL

LEU

10

ASP

SER

GLN

VAL

THR

LYS

GLU

VAL

ILE

ASN

11

GLN

VAL

GLU

VAL

GLY

ALA

PRO

VAL

THR

12

HIS

Samples:

G5_sample: G5, [U-100% 13C; U-100% 15N], 1 mM; TRIS 25 mM; sodium chloride 25 mM; DSS 0.5 mM; DTT 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.025 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	G5_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	G5_sample	isotropic	sample_conditions_1
2D 1H-1H NOESY	G5_sample	isotropic	sample_conditions_1
2D 1H-1H TOCSY	G5_sample	isotropic	sample_conditions_1
3D C(CO)NH	G5_sample	isotropic	sample_conditions_1
3D HNCACB	G5_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	G5_sample	isotropic	sample_conditions_1
3D H(CCO)NH	G5_sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	G5_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	G5_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	G5_sample	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

VNMRJ, Varian - collection

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 500 MHz