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PDB ID: 9zn4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31287
MolProbity Validation Chart

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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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Name: Solution NMR structure of the MppE leader peptide, a Nif11 RiPP from Moorena producens
Published: 2026-01-28

Title:

Solution NMR structure of the MppE leader peptide, a Nif11 RiPP from Moorena producens

Deposition date:

2025-12-12

Original release date:

2026-01-28

Authors:

Vidya, F.; McShan, A.; Agarwal, A.

Citation:

Citation: Vidya, F.; McShan, A.; Agarwal, A.. "Solution NMR structure of the MppE leader peptide, a Nif11 RiPP from Moorena producens" .

Assembly members:

Assembly members:
entity_1, polymer, 77 residues, 8731.419 Da.

Natural source:

Natural source: Common Name: Moorena producens Taxonomy ID: 1155739 Superkingdom: Bacteria Kingdom: not available Genus/species: Moorena producens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSSEQIEQFVEEIQRDPALK EQLQLQGSIDETIDKVIEIA KEKGYDFTATELKEYMENPS DEEEELSDSELEAVAGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	223
15N chemical shifts	74
1H chemical shifts	74

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 77 residues - 8731.419 Da.

1

MET

SER

GLU

GLN

ILE

GLU

GLN

PHE

VAL

2

GLU

ILE

GLN

ARG

ASP

PRO

ALA

LEU

LYS

3

GLU

GLN

LEU

GLN

LEU

GLN

GLY

SER

ILE

ASP

4

GLU

THR

ILE

ASP

LYS

VAL

ILE

GLU

ILE

ALA

5

LYS

GLU

LYS

GLY

TYR

ASP

PHE

THR

ALA

THR

6

GLU

LEU

LYS

GLU

TYR

MET

GLU

ASN

PRO

SER

7

ASP

GLU

LEU

SER

ASP

SER

GLU

8

LEU

GLU

ALA

VAL

ALA

GLY

Samples:

sample_1: MppE, [U-13C; U-15N], 0.3 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

CS-ROSETTA, Shen, Vernon, Baker and Bax - refinement, structure calculation

NMRFAM-SPARKY, Lee - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III HD 800 MHz

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

BMRB Entry 31287