BMRB Entry 34018

Name: Lactococcin A immunity protein
Published: 2016-11-14

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PDB ID: 5lfi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34018
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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: Lactococcin A immunity protein PubMed: 27808503

Deposition date: 2016-07-01 Original release date: 2016-11-14

Authors: Persson, C.; Fuochi, V.; Pedersen, A.; Karlsson, B.; Nissen-Meyer, J.; Kristiansen, P.; Oppegard, C.

Citation: Kristiansen, P.; Persson, C.; Fuochi, V.; Pedersen, A.; Karlsson, G.; Nissen-Meyer, J.; Oppegard, C.. "Nuclear Magnetic Resonance Structure and Mutational Analysis of the Lactococcin A Immunity Protein." Biochemistry 55, 6250-6257 (2016).

Assembly members:
entity_1, polymer, 117 residues, 13273.202 Da.

Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1360 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis

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

Entity Sequences (FASTA):
entity_1: MSGSHHHHHHSSGIEGRGRM KKKQIEFENELRSMLATALE KDISQEERNALNIAEKALDN SEYLPKIILNLRKALTPLAI NRTLNHDLSELYKFITSSKA SNKNLGGGLIMSWGRLF

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	394
15N chemical shifts	98
1H chemical shifts	590

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 117 residues - 13273.202 Da.

1

MET

SER

GLY

SER

HIS

2

SER

GLY

ILE

GLU

GLY

ARG

GLY

ARG

MET

3

LYS

GLN

ILE

GLU

PHE

GLU

ASN

GLU

4

LEU

ARG

SER

MET

LEU

ALA

THR

ALA

LEU

GLU

5

LYS

ASP

ILE

SER

GLN

GLU

ARG

ASN

ALA

6

LEU

ASN

ILE

ALA

GLU

LYS

ALA

LEU

ASP

ASN

7

SER

GLU

TYR

LEU

PRO

LYS

ILE

LEU

ASN

8

LEU

ARG

LYS

ALA

LEU

THR

PRO

LEU

ALA

ILE

9

ASN

ARG

THR

LEU

ASN

HIS

ASP

LEU

SER

GLU

10

LEU

TYR

LYS

PHE

ILE

THR

SER

LYS

ALA

11

SER

ASN

LYS

ASN

LEU

GLY

LEU

ILE

12

MET

SER

TRP

GLY

ARG

LEU

PHE

Samples:

sample_1: lactococcin A immunity protein, [U-100% 13C; U-100% 15N], 0.5 mM

sample_conditions_1: ionic strength: 0.4 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	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:

Analysis, CCPN - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

Bruker AvanceIII 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts