BMRB Entry 19617

Name: Solution structure of the Big domain from Leptospira interrogans
Published: 2013-12-09

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PDB ID: 2mh4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19617
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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 Big domain from Leptospira interrogans

Deposition date:

2013-11-17

Original release date:

2013-12-09

Authors:

Mei, Song

Citation:

Citation: Mei, Song. "Solution structure of the Big domain from Leptospira interrogans" .

Assembly members:

Assembly members:
entity, polymer, 96 residues, 9481.341 Da.

Natural source:

Natural source: Common Name: spirochetes Taxonomy ID: 173 Superkingdom: Bacteria Kingdom: not available Genus/species: Leptospira interrogans

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Leptospira interrogans Vector: pet22b

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	248
15N chemical shifts	92
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	Big domain from Leptospira interrogans	1

Entities:

Entity 1, Big domain from Leptospira interrogans 96 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

ALA

LEU

GLU

HIS

Samples:

sample_1: ammonium chloride, [U-99% 15N], 0.5 g/L; glucose, [U-95% 13C], 2.5 g/L; H2O 90%; D2O 10%; entity, [U-13C; U-15N], 0.5 mM

sample_conditions_1: ionic strength: 100 mM; 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
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - structure solution

NMR spectrometers:

Bruker DMX 600 MHz