BMRB Entry 25819

Name: Solution Structure of Leptospiral LigA4 Big Domain
Published: 2015-10-19

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PDB ID: 2n7s
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25819
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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 Leptospiral LigA4 Big Domain

Deposition date:

2015-10-19

Original release date:

2015-10-19

Authors:

Mei, Song

Citation:

Citation: Mei, Song; Zhang, Jiahai; Zhang, Xuecheng; Tu, Xiaoming. "Solution Structure of Leptospiral LigA4 Big Domain" Biochem. Biophys. Res. Commun. 467, 288-292 (2015).
PubMed: 26449456

Assembly members:

Assembly members:
entity, polymer, 92 residues, 9481.341 Da.

Natural source:

Natural source: Common Name: Leptospira Taxonomy ID: 171 Superkingdom: Bacteria Kingdom: not available Genus/species: Leptospira not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet22

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MPAALVSISVSPTNSTVAKG LQENFKATGIFTDNSNSDIT DQVTWDSSNTDILSISNASD SHGLASTLNQGNVKVTASIG GIQGSTDFKVTQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	233
15N chemical shifts	100
1H chemical shifts	457

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 92 residues - 9481.341 Da.

1

MET

PRO

ALA

LEU

VAL

SER

ILE

SER

VAL

2

SER

PRO

THR

ASN

SER

THR

VAL

ALA

LYS

GLY

3

LEU

GLN

GLU

ASN

PHE

LYS

ALA

THR

GLY

ILE

4

PHE

THR

ASP

ASN

SER

ASN

SER

ASP

ILE

THR

5

ASP

GLN

VAL

THR

TRP

ASP

SER

ASN

THR

6

ASP

ILE

LEU

SER

ILE

SER

ASN

ALA

SER

ASP

7

SER

HIS

GLY

LEU

ALA

SER

THR

LEU

ASN

GLN

8

GLY

ASN

VAL

LYS

VAL

THR

ALA

SER

ILE

GLY

9

GLY

ILE

GLN

GLY

SER

THR

ASP

PHE

LYS

VAL

10

THR

GLN

Samples:

sample_1: entity, [U-13C; U-15N], 0.5 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker AMX 600 MHz

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