BMRB Entry 16560

Name: Solution NMR Structure of uncharacterized protein from gene locus NE0665 of Nitrosomonas europaea. Northeast Structural Genomics Target NeR103A
Published: 2010-01-07

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PDB ID: 2kpm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16560
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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 NMR Structure of uncharacterized protein from gene locus NE0665 of Nitrosomonas europaea. Northeast Structural Genomics Target NeR103A

Deposition date:

2009-10-16

Original release date:

2010-01-07

Authors:

Rossi, Paolo; Belote, Rachel; Jiang, Mei; Xiao, Rong; Ciccosanti, Colleen; Acton, Thomas; Everett, John; Rost, Burkhard; Montelione, Gaetano

Citation:

Citation: Rossi, Paolo; Xiao, Rong; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "Solution NMR Structure of uncharacterized protein from gene locus NE0665 of Nitrosomonas europaea. Northeast Structural Genomics Target NeR103A" .

Assembly members:

Assembly members:
protein from gene locus NE0665, polymer, 105 residues, 11939.455 Da.

Natural source:

Natural source: Common Name: N. 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: pET21-23C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
protein from gene locus NE0665: MDQKSSSPQPAAQAPETKQA FPRKFVLAALEQSSDDAGWA NLGNFGNYLNKLQPDFDSRL YGYKKLSDLVKARTDLFVTE ERQVPGSTQKALYLRAKLEH HHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	405
15N chemical shifts	98
1H chemical shifts	632

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	protein from gene locus NE0665	1

Entities:

Entity 1, protein from gene locus NE0665 105 residues - 11939.455 Da.

1

MET

ASP

GLN

LYS

SER

PRO

GLN

PRO

2

ALA

GLN

ALA

PRO

GLU

THR

LYS

GLN

ALA

3

PHE

PRO

ARG

LYS

PHE

VAL

LEU

ALA

LEU

4

GLU

GLN

SER

ASP

ALA

GLY

TRP

ALA

5

ASN

LEU

GLY

ASN

PHE

GLY

ASN

TYR

LEU

ASN

6

LYS

LEU

GLN

PRO

ASP

PHE

ASP

SER

ARG

LEU

7

TYR

GLY

TYR

LYS

LEU

SER

ASP

LEU

VAL

8

LYS

ALA

ARG

THR

ASP

LEU

PHE

VAL

THR

GLU

9

GLU

ARG

GLN

VAL

PRO

GLY

SER

THR

GLN

LYS

10

ALA

LEU

TYR

LEU

ARG

ALA

LYS

LEU

GLU

HIS

11

HIS

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.957 mM; sodium chloride 200 mM; MES 20 mM; DTT 10 mM; sodium azide 0.02%; Calcium Chloride 5 mM; DSS 50 uM; D2O 10%; H2O 90%

sample_2: entity, [U-5% 13C; U-100% 15N], 0.9 mM; sodium chloride 200 mM; MES 20 mM; DTT 10 mM; sodium azide 0.02%; Calcium Chloride 5 mM; DSS 50 uM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 0.2 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	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCO	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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
het-NOE	sample_2	isotropic	sample_conditions_1
T1-pseudo2D	sample_2	isotropic	sample_conditions_1
T2CPMG-pseudo2D	sample_2	isotropic	sample_conditions_1
high-resC13-HSQC	sample_2	isotropic	sample_conditions_1
1D presat referencing	sample_1	isotropic	sample_conditions_1
1D presat referencing	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

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

SPARKY v3.112, Goddard - data analysis

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

TALOS v+, Shen,Cornilescu, Delaglio and Bax - geometry optimization

PSVS v1.3, Bhattacharya and Montelione - validation

TOPSPIN v2.1, Bruker Biospin - collection

PyMol v1.2, delano scientific - visualization

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KPM
EMBL	CAD84576
REF	WP_011111286