BMRB Entry 15261

Name: LactococcinGb in DPC and TFE
Published: 2008-02-21

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PDB ID: 2jpk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15261
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

LactococcinGb in DPC and TFE

Deposition date:

2007-05-22

Original release date:

2008-02-21

Authors:

Rogne, Per; Kristiansen, Per; Fimland, Gunnar; Nissen-Meyer, Jon

Citation:

Citation: Rogne, Per; Fimland, Gunnar; Nissen-Meyer, Jon; Kristiansen, Per. "Three-dimensional structure of the two peptides that constitutes the two-peptide bacteriocin Lactococcin G" Biochim. Biophys. Acta. 1784, 543-554 (2008).
PubMed: 18187052

Assembly members:

Assembly members:
lcnGb, polymer, 35 residues, 4118.848 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEV2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
lcnGb: KKWGWLAWVDPAYEFIKGFG KGAIKEGNKDKWKNI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2

Data type	Count
15N chemical shifts	78
1H chemical shifts	485

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	lcnGb	1

Entities:

Entity 1, lcnGb 35 residues - 4118.848 Da.

1

LYS

TRP

GLY

TRP

LEU

ALA

TRP

VAL

ASP

2

PRO

ALA

TYR

GLU

PHE

ILE

LYS

GLY

PHE

GLY

3

LYS

GLY

ALA

ILE

LYS

GLU

GLY

ASN

LYS

ASP

4

LYS

TRP

LYS

ASN

ILE

Samples:

LcnGb_DPC: lactococcinG beta, [U-15N], 1 mM; DPC, [U-2H], 200 mM; D2O 10%; TFA 0.1%; DSS 0.2 mM

lcnGb_TFE: Lactococcin Gb, [U-15N], 1 mM; TFE, [U-2H], 90%; TFA 0.1%; DSS 0.2 mM

25C: pH: 2.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	LcnGb_DPC	isotropic	25C
2D 1H-1H TOCSY	LcnGb_DPC	isotropic	25C
2D 1H-1H NOESY	LcnGb_DPC	isotropic	25C
3D 1H-15N TOCSY	LcnGb_DPC	isotropic	25C
3D 1H-15N NOESY	LcnGb_DPC	isotropic	25C
2D 1H-15N HSQC	lcnGb_TFE	isotropic	25C
2D 1H-1H TOCSY	lcnGb_TFE	isotropic	25C
2D 1H-1H NOESY	lcnGb_TFE	isotropic	25C
3D 1H-15N TOCSY	lcnGb_TFE	isotropic	25C
3D 1H-15N NOESY	lcnGb_TFE	isotropic	25C

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CARA v1.4.1, Keller and Wuthrich - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

Molmol v2k.2, Koradi, Billeter and Wuthrich - RMSD value calculation, Visualization

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2JPK 2JPM
GB	AAB23090 ACR43770
SP	P36962
AlphaFold	P36962 P36962