BMRB Entry 19619

Name: Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles
Published: 2014-03-03

Click here to enlarge.

PDB ID: 2mh5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19619
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:

Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles

Deposition date:

2013-11-18

Original release date:

2014-03-03

Authors:

Munch, Daniela; Muller, Anna; Schneider, Tanja; Kohl, Bastian; Wenzel, Michaela; Bandow, Julia; Maffioli, Sonia; Sosio, Margherita; Donadio, Stefano; Wimmer, Reinhard; Sahl, Hans-Georg

Citation:

Citation: Munch, Daniela; Muller, Anna; Schneider, Tanja; Kohl, Bastian; Wenzel, Michaela; Bandow, Julia Elisabeth; Maffioli, Sonia; Sosio, Margherita; Donadio, Stefano; Wimmer, Reinhard; Sahl, Hans-Georg. "The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions." J. Biol. Chem. 289, 12063-12076 (2014).
PubMed: 24627484

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2003.355 Da.

Natural source:

Natural source: Common Name: Microbispora sp. 107891 Taxonomy ID: 415003 Superkingdom: Bacteria Kingdom: not available Genus/species: Microbispora Microbispora sp. 107891

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Microbispora Vector: N/A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: VXXXXLCXPGCTXXGGGXNC XFCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	40
1H chemical shifts	114

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	lantibiotic NAI-107	1

Entities:

Entity 1, lantibiotic NAI-107 24 residues - 2003.355 Da.

1

VAL

DBU

DAL

5CW

DHA

LEU

CYS

DBB

PRO

GLY

2

CYS

THR

DAL

HYP

GLY

DAL

ASN

CYS

3

DAL

PHE

CYS

TEE

Samples:

sample_1: entity_1 3.5 mM; dodecylphosphocholine-d38, [U-2H], 150 mM; potassium phosphate 10 mM; TSP-d4, 2,2,3,3-D, 0.02 mM

sample_conditions_1: pH: 6.2; pressure: 1 atm; temperature: 310.1 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.1, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

YASARA, Yasara Biosciences - refinement

NMR spectrometers:

Bruker AVIII 600 MHz
Bruker Avance 900 MHz
Bruker DRX 600 MHz