BMRB Entry 19275

Name: Solution Structure and Activity Study of Bovicin HJ50, a Particular Type AII Lantibiotic
Published: 2014-05-20

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PDB ID: 2m8v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19275
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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:

Solution Structure and Activity Study of Bovicin HJ50, a Particular Type AII Lantibiotic

Deposition date:

2013-05-29

Original release date:

2014-05-20

Authors:

Zhang, Jie; Feng, Yingang; Wang, Jinfeng; Zhong, Jin

Citation:

Citation: Zhang, Jie; Feng, Yingang; Wang, Jinfeng; Zhong, Jin. "Type AII Lantibiotic Bovicin HJ50 with a Rare Disulfide Bond: Structure, Structure-Activity Relationships and Mode of Action" Biochem. J. ., .-. (2014).
PubMed: 24814218

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3156.733 Da.

Natural source:

Natural source: Common Name: Streptococcus equinus Taxonomy ID: 1335 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus bovis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-bovAM

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ADRGWIKXLXKDCPNVISSI CAGTIITACKNCA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	106
1H chemical shifts	219

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Bovicin HJ50	1

Entities:

Entity 1, Bovicin HJ50 33 residues - 3156.733 Da.

1

ALA

ASP

ARG

GLY

TRP

ILE

LYS

DBB

LEU

DBB

2

LYS

ASP

CYS

PRO

ASN

VAL

ILE

SER

ILE

3

CYS

ALA

GLY

THR

ILE

THR

ALA

CYS

LYS

4

ASN

CYS

ALA

Samples:

sample_1: entity_1 1 mM; sodium acetate, [U-2H], 50 mM; DSS 0.01%

sample_2: entity_1 1 mM; sodium acetate, [U-2H], 50 mM; DSS 0.01%

sample_conditions_1: ionic strength: 50 mM; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

FELIX, Accelrys Software Inc. - processing

NMRViewJ, Johnson, One Moon Scientific - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker DMX 600 MHz