BMRB Entry 15568

Name: Solution NMR Structure of uncharacterized Lipoprotein B from Nitrosomona europaea. Northeast Structural Genomics Target NeR45A.
Published: 2007-12-11

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PDB ID: 2jxp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15568
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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:

Solution NMR Structure of uncharacterized Lipoprotein B from Nitrosomona europaea. Northeast Structural Genomics Target NeR45A.

Deposition date:

2007-11-27

Original release date:

2007-12-11

Authors:

Rossi, Paolo; Wang, Dongyan; Janjua, Haleema; Owens, Leah; Xiao, Rong; Baran, Michael; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation:

Citation: Rossi, Paolo; Xiao, Rong; Acton, Thomas; Montelione, Gaetano. "Solution NMR Structure of Uncharacterized Lipoprotein B from Nitrosomona europaea. Northeast Structural Genomics Target NeR45A." .

Assembly members:

Assembly members:
NeR45A, polymer, 155 residues, 17617.432 Da.

Natural source:

Natural source: Common Name: Nitrosomonas europaea Taxonomy ID: 915 Superkingdom: Bacteria Kingdom: not available Genus/species: Nitrosomonas europaea

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: NeR45A-21.4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NeR45A: MGFKLRGQVSELPFERVYIT APAGLTIGSDLERVISTHTR AKVVNKAEKSEAIIQIVHAI REKRILSLSESGRVREFELV YRVAARLLDAHNAELASLQE IRLTRILPFLDAQELAKAAE EEMLYKDMQKDAVQQILRQV SAFTSAGLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	650
15N chemical shifts	153
1H chemical shifts	1056

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NeR45A	1

Entities:

Entity 1, NeR45A 155 residues - 17617.432 Da.

UniProtKB/TrEMBL ID: Q82VF2_NITEU with trucncated transmembrane region C-term HisTag (LEHHHHHH)

1

MET

GLY

PHE

LYS

LEU

ARG

GLY

GLN

VAL

SER

2

GLU

LEU

PRO

PHE

GLU

ARG

VAL

TYR

ILE

THR

3

ALA

PRO

ALA

GLY

LEU

THR

ILE

GLY

SER

ASP

4

LEU

GLU

ARG

VAL

ILE

SER

THR

HIS

THR

ARG

5

ALA

LYS

VAL

ASN

LYS

ALA

GLU

LYS

SER

6

GLU

ALA

ILE

GLN

ILE

VAL

HIS

ALA

ILE

7

ARG

GLU

LYS

ARG

ILE

LEU

SER

LEU

SER

GLU

8

SER

GLY

ARG

VAL

ARG

GLU

PHE

GLU

LEU

VAL

9

TYR

ARG

VAL

ALA

ARG

LEU

ASP

ALA

10

HIS

ASN

ALA

GLU

LEU

ALA

SER

LEU

GLN

GLU

11

ILE

ARG

LEU

THR

ARG

ILE

LEU

PRO

PHE

LEU

12

ASP

ALA

GLN

GLU

LEU

ALA

LYS

ALA

GLU

13

GLU

MET

LEU

TYR

LYS

ASP

MET

GLN

LYS

14

ASP

ALA

VAL

GLN

ILE

LEU

ARG

GLN

VAL

15

SER

ALA

PHE

THR

SER

ALA

GLY

LEU

GLU

HIS

16

HIS

Samples:

sample_1: entity 1 mM; MES 20 mM; calcium chloride 5 mM; DTT 100 mM; sodium chloride 100 mM; sodium azide 0.02%; D2O, [U-100% 2H], 5%; H2O 95%

sample_2: entity 0.86 mM; MES 20 mM; calcium chloride 5 mM; DTT 100 mM; sodium chloride 100 mM; sodium azide 0.02%; D2O, [U-100% 2H], 100%

sample_3: entity 1.3 mM; MES 20 mM; calcium chloride 5 mM; DTT 100 mM; sodium chloride 100 mM; sodium azide 0.02%; D2O, [U-100% 2H], 5%; H2O 95%

sample_conditions_1: ionic strength: 0.1 M; 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
2D 1H-13C HSQC (aliph)	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 HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D SIMULTANEOUS 15N-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC (arom)	sample_1	isotropic	sample_conditions_1

Software:

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

AutoAssign v2.4, Zimmerman, Moseley, Kulikowski and Montelione - backbone chemical shift assignment

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

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS v1.3, Bhattacharya and Montelione - validation

SPARKY v3.112, Goddard - data analysis

TOPSPIN v1.3, Bruker Biospin - collection

Molmol v2.2, Koradi, Billeter and Wuthrich - visualization

RPF v2.1.1, Huang, Powers and Montelione - validation

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th - validation

MolProbity, Richardson - validation

XEASY, Bartels et al. - data analysis

NMR spectrometers:

Bruker Avance 800 MHz