2MH5

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


Experimental Data Snapshot

  • Method: SOLUTION NMR
  • Conformers Calculated: 80 
  • Conformers Submitted: 20 
  • Selection Criteria: structures with the least restraint violations 

wwPDB Validation   3D Report Full Report


This is version 1.3 of the entry. See complete history


Literature

The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions.

Munch, D.Muller, A.Schneider, T.Kohl, B.Wenzel, M.Bandow, J.E.Maffioli, S.Sosio, M.Donadio, S.Wimmer, R.Sahl, H.G.

(2014) J Biol Chem 289: 12063-12076

  • DOI: https://doi.org/10.1074/jbc.M113.537449
  • Primary Citation of Related Structures:  
    2MH5

  • PubMed Abstract: 

    The lantibiotic NAI-107 is active against Gram-positive bacteria including vancomycin-resistant enterococci and methicillin-resistant Staphylococcus aureus. To identify the molecular basis of its potency, we studied the mode of action in a series of whole cell and in vitro assays and analyzed structural features by nuclear magnetic resonance (NMR). The lantibiotic efficiently interfered with late stages of cell wall biosynthesis and induced accumulation of the soluble peptidoglycan precursor UDP-N-acetylmuramic acid-pentapeptide (UDP-MurNAc-pentapeptide) in the cytoplasm. Using membrane preparations and a complete cascade of purified, recombinant late stage peptidoglycan biosynthetic enzymes (MraY, MurG, FemX, PBP2) and their respective purified substrates, we showed that NAI-107 forms complexes with bactoprenol-pyrophosphate-coupled precursors of the bacterial cell wall. Titration experiments indicate that first a 1:1 stoichiometric complex occurs, which then transforms into a 2:1 (peptide: lipid II) complex, when excess peptide is added. Furthermore, lipid II and related molecules obviously could not serve as anchor molecules for the formation of defined and stable nisin-like pores, however, slow membrane depolarization was observed after NAI-107 treatment, which could contribute to killing of the bacterial cell.


  • Organizational Affiliation

    Institute of Medical Microbiology, Immunology and Parasitology, Pharmaceutical Microbiology Section, University of Bonn, 53115 Bonn, Germany. Electronic address: dmuench@uni-bonn.de.


Macromolecules

Find similar proteins by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Lantibiotic 10789124Microbispora sp. 107891Mutation(s): 0 
UniProt
Find proteins for P85065 (Microbispora sp. (strain 107891))
Explore P85065 
Go to UniProtKB:  P85065
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP85065
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
DPV
Query on DPV

Download Ideal Coordinates CCD File 
AA [auth A]
AB [auth A]
B [auth A]
BA [auth A]
BB [auth A]
AA [auth A],
AB [auth A],
B [auth A],
BA [auth A],
BB [auth A],
C [auth A],
CA [auth A],
CB [auth A],
D [auth A],
DA [auth A],
DB [auth A],
E [auth A],
EA [auth A],
EB [auth A],
F [auth A],
FA [auth A],
FB [auth A],
G [auth A],
GA [auth A],
GB [auth A],
H [auth A],
HA [auth A],
HB [auth A],
I [auth A],
IA [auth A],
IB [auth A],
J [auth A],
JA [auth A],
JB [auth A],
K [auth A],
KA [auth A],
KB [auth A],
L [auth A],
LA [auth A],
LB [auth A],
M [auth A],
MA [auth A],
MB [auth A],
N [auth A],
NA [auth A],
NB [auth A],
O [auth A],
OA [auth A],
P [auth A],
PA [auth A],
Q [auth A],
QA [auth A],
R [auth A],
RA [auth A],
S [auth A],
SA [auth A],
T [auth A],
TA [auth A],
U [auth A],
UA [auth A],
V [auth A],
VA [auth A],
W [auth A],
WA [auth A],
X [auth A],
XA [auth A],
Y [auth A],
YA [auth A],
Z [auth A],
ZA [auth A]
dodecyl 2-(trimethylammonio)ethyl phosphate
C17 H38 N O4 P
QBHFVMDLPTZDOI-UHFFFAOYSA-N
Modified Residues  4 Unique
IDChains TypeFormula2D DiagramParent
5CW
Query on 5CW
A
L-PEPTIDE LINKINGC11 H11 Cl N2 O2TRP
DBU
Query on DBU
A
PEPTIDE LINKINGC4 H7 N O2THR
DHA
Query on DHA
A
PEPTIDE LINKINGC3 H5 N O2SER
HYP
Query on HYP
A
L-PEPTIDE LINKINGC5 H9 N O3PRO
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 1
IDChains NameType/Class2D Diagram3D Interactions
PRD_001219
Query on PRD_001219
A
Lantibiotic 107891Oligopeptide / Antibiotic
Experimental Data & Validation

Experimental Data

  • Method: SOLUTION NMR
  • Conformers Calculated: 80 
  • Conformers Submitted: 20 
  • Selection Criteria: structures with the least restraint violations 

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2014-03-05
    Type: Initial release
  • Version 1.1: 2014-04-02
    Changes: Database references
  • Version 1.2: 2014-05-14
    Changes: Database references
  • Version 1.3: 2023-06-14
    Changes: Data collection, Database references, Derived calculations, Other