BMRB Entry 6146

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6146

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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

Deposition date:

2004-03-16

Original release date:

2008-07-16

Authors:

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

Citation:

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).
PubMed: 15361862

Assembly members:

Assembly members:
nisin Z, polymer, 34 residues, Formula weight is not available
G-gamma-glutamic acid, polymer, 11 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: enzymatic semisynthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
nisin Z: IXXIXLCXPGCKXGALMGCN MKXAXCNCSIHVXK
G-gamma-glutamic acid: AXKXXXXXXXX

Data sets:

assigned_chemical_shifts
- chemical_shift_nisin
- chemical_shift_3LII

Data type	Count
1H chemical shifts	236
15N chemical shifts	34
13C chemical shifts	73

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nisin monomer	1
2	3LII	2

Entities:

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

1

ILE

DHB_2

ABA_2

ILE

DHA_2

LEU

CYS

MLN_2

PRO

GLY

2

CYS

LYS

MLN_2

GLY

ALA

LEU

MET

GLY

CYS

ASN

3

MET

LYS

MLN_2

ALA

MLN_2

CYS

ASN

CYS

SER

ILE

4

HIS

VAL

DHA_2

LYS

Entity 2, 3LII 11 residues - Formula weight is not available

1

ALA

DGL

LYS

DAL

NAG

NAM_2

POP

TPL_2

2

TPL_2

Samples:

sample_1: G-gamma-glutamic acid 1.2 mM; nisin Z, [U-100% 15N], 1.2 mM; d6-DMSO 99.9%

Ex-cond_1: 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
1H-13C HSQC	sample_1	not available	Ex-cond_1
1H-13C HMBC	sample_1	not available	Ex-cond_1
31P direct detection	sample_1	not available	Ex-cond_1
1H-31P HSQC	sample_1	not available	Ex-cond_1
31P-edited 1H-15N CT HSQC	sample_1	not available	Ex-cond_1

Software:

NMRPipe -

NMRView -

NMR spectrometers:

Bruker AVANCE 500 MHz
Bruker AVANCE 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 peaks
SPARKY: Backbone or all simulated peaks