BMRB Entry 6144

Name: The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics
Published: 2004-10-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6144

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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: The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics PubMed: 15361862

Deposition date: 2004-03-16 Original release date: 2004-10-13

Authors: Hsu, Shang-Te; de Kruijff, Ben; Tischenko, Eugene; Kaptein, Robert; Breukink, Eefjan; Bonvin, Alexandre; Lutters, Mandy; van Nuland, Nico

Citation: Hsu, Shang-Te; Breukink, Eefjan; Tischenko, Eugene; Lutters, Mandy; de Kruijff, Ben; Kaptein, Robert; Bonvin, Alexandre; van Nuland, Nico. "The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics" Nat. Struct. Mol. Biol. 11, 963-967 (2004).

Assembly members:
nisin Z, polymer, 34 residues, Formula weight is not available

Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1358 Superkingdom: Eubacteria Kingdom: not available Genus/species: Lactococcus lactis

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):
nisin Z: IXXIXLCXPGCKXGALMGCN MKXAXCNCSIHVXK

Data sets:

assigned_chemical_shifts
- free_nisin

Data type	Count
1H chemical shifts	172
15N chemical shifts	32
13C chemical shifts	67

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nisin monomer	1

Entities:

Entity 1, nisin monomer 34 residues - Formula weight is not available

1

ILE

DBU

DAL

ILE

DHA

LEU

CYS

ABA

PRO

GLY

2

CYS

LYS

ABA

GLY

ALA

LEU

MET

GLY

CYS

ASN

3

MET

LYS

ABA

ALA

ABA

CYS

ASN

CYS

SER

ILE

4

HIS

VAL

DHA

LYS

Samples:

sample_1: nisin Z, [U-100% 15N], 1.2 mM; d6-DMSO 99%

Ex-cond_1: pH: .; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N NOESY	sample_1	not available	Ex-cond_1
1H-15N TOCSY	sample_1	not available	Ex-cond_1
1H-1H NOESY	sample_1	not available	Ex-cond_1
1H-1H TOCSY	sample_1	not available	Ex-cond_1
1H-1H DQF-COSY	sample_1	not available	Ex-cond_1

Software:

NMRPipe -

NMRView -

NMR spectrometers:

Bruker AVANVE 500 MHz
Bruker AVANVE 600 MHz
Bruker AVANVE 750 MHz
Bruker AVANVE 900 MHz

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