BMRB Entry 25277

Name: Solution structure of the lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024
Published: 2015-07-13

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PDB ID: 2mvo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25277
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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 of the lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024

Deposition date:

2014-10-09

Original release date:

2015-07-13

Authors:

Pozzi, Roberta; Schwartz, Paul; Linke, Dirk; Kulik, Andreas; Nega, Mulugeta; Wohlleben, Wolfgang; Stegmann, Evi; Coles, Murray

Citation:

Citation: Pozzi, Roberta; Coles, Murray; Schwartz, Paul; Linke, Dirk; Kulik, Andreas; Nega, Mulugeta; Wohlleben, Wolfgang; Stegmann, Evi. "Distinct mechanisms contribute to immunity in the lantibiotic NAI-107 producer strain Microbispora ATCC PTA-5024" Environ. Microbiol. 18, 118-132 (2016).
PubMed: 25923468

Assembly members:

Assembly members:
MlbQ, polymer, 147 residues, 15456.215 Da.

Natural source:

Natural source: Common Name: high GC Gram+ Taxonomy ID: 316330 Superkingdom: Bacteria Kingdom: not available Genus/species: Microbispora ATCC PTA-5024

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MlbQ: HHHHHHSSGLVPRGSGMKET AAAKFERQHMDSPDLGTDDD DKTGGGRADPAHRSPVPLPS PTSNKQDISEANLAYLWPLT VDHGTIECLPSDNAVFVAPD GTTYALNDRAEKAGHPPITP IRAKGSGGGYISLGALLSTT LNLCGKG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	347
15N chemical shifts	82
1H chemical shifts	573

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MlbQ	1

Entities:

Entity 1, MlbQ 147 residues - 15456.215 Da.

Residues -5-36 represent a non-native cloning/affinity tag

1

HIS

SER

GLY

LEU

2

VAL

PRO

ARG

GLY

SER

GLY

MET

LYS

GLU

THR

3

ALA

LYS

PHE

GLU

ARG

GLN

HIS

MET

4

ASP

SER

PRO

ASP

LEU

GLY

THR

ASP

5

ASP

LYS

THR

GLY

ARG

ALA

ASP

PRO

6

ALA

HIS

ARG

SER

PRO

VAL

PRO

LEU

PRO

SER

7

PRO

THR

SER

ASN

LYS

GLN

ASP

ILE

SER

GLU

8

ALA

ASN

LEU

ALA

TYR

LEU

TRP

PRO

LEU

THR

9

VAL

ASP

HIS

GLY

THR

ILE

GLU

CYS

LEU

PRO

10

SER

ASP

ASN

ALA

VAL

PHE

VAL

ALA

PRO

ASP

11

GLY

THR

TYR

ALA

LEU

ASN

ASP

ARG

ALA

12

GLU

LYS

ALA

GLY

HIS

PRO

ILE

THR

PRO

13

ILE

ARG

ALA

LYS

GLY

SER

GLY

TYR

14

ILE

SER

LEU

GLY

ALA

LEU

SER

THR

15

LEU

ASN

LEU

CYS

GLY

LYS

GLY

Samples:

15N-labelled: MlbQ, [U-100% 15N], 0.5 mM; TRIS 20 mM; sodium chloride 250 mM; H2O 90%; D2O 10%

13C-15N-labelled: MlbQ, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS 20 mM; sodium chloride 250 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.240 M; pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	13C-15N-labelled	isotropic	sample_conditions_1
3D C(CO)NH	13C-15N-labelled	isotropic	sample_conditions_1
3D HCCH-TOCSY	13C-15N-labelled	isotropic	sample_conditions_1
3D CCH NOESY	13C-15N-labelled	isotropic	sample_conditions_1
3D CNH NOESY	13C-15N-labelled	isotropic	sample_conditions_1
3D 1H-15N NOESY	15N-labelled	isotropic	sample_conditions_1
3D 1H-13C NOESY	13C-15N-labelled	isotropic	sample_conditions_1
3D HNHA	15N-labelled	isotropic	sample_conditions_1
3D HNHB	15N-labelled	isotropic	sample_conditions_1
3D 3JHBHA(CO)NH	13C-15N-labelled	isotropic	sample_conditions_1
3D NNH NOESY	15N-labelled	isotropic	sample_conditions_1
3D HN(CA)NNH	13C-15N-labelled	isotropic	sample_conditions_1
3D HNCA	13C-15N-labelled	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis

X-PLOR_NIH v2.9.4, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR-SPIRIT v1.1, In house - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz