BMRB Entry 6929

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PDB ID: 2fgx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6929
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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:

1H, 13C, and 15N Chemical Shift Assignments for Nitrosomonas Europaea Protein Ne2328: Northeast Structural Genomics Consortium target NeT3

Deposition date:

2005-12-22

Original release date:

2006-04-05

Authors:

Eletsky, Alexandre; Liu, Gaohua; Yee, Adelinda; Arrowsmith, Cheryl; Szyperski, Thomas

Citation:

Citation: Eletsky, Alexandre; Liu, Gaohua; Yee, Adelinda; Arrowsmith, Cheryl; Szyperski, Thomas. "Solution NMR Structure of Nitrosomonas Europaea Protein Ne2328" Proteins: Struct. Funct. Genet. ., .-..

Assembly members:

Assembly members:
NeT3, polymer, 107 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NeT3: MGTSHHHHHHSSGRENLYFQ GHMNNQVEPRKLVVYGREGC HLCEEMIASLRVLQKKSWFE LEVINIDGNEHLTRLYNDRV PVLFAVNEDKELCHYFLDSD VIGAYLS

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	342
15N chemical shifts	79
1H chemical shifts	586

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NeT3 monomer	1

Entities:

Entity 1, NeT3 monomer 107 residues - Formula weight is not available

1

MET

GLY

THR

SER

HIS

2

SER

GLY

ARG

GLU

ASN

LEU

TYR

PHE

GLN

3

GLY

HIS

MET

ASN

GLN

VAL

GLU

PRO

ARG

4

LYS

LEU

VAL

TYR

GLY

ARG

GLU

GLY

CYS

5

HIS

LEU

CYS

GLU

MET

ILE

ALA

SER

LEU

6

ARG

VAL

LEU

GLN

LYS

SER

TRP

PHE

GLU

7

LEU

GLU

VAL

ILE

ASN

ILE

ASP

GLY

ASN

GLU

8

HIS

LEU

THR

ARG

LEU

TYR

ASN

ASP

ARG

VAL

9

PRO

VAL

LEU

PHE

ALA

VAL

ASN

GLU

ASP

LYS

10

GLU

LEU

CYS

HIS

TYR

PHE

LEU

ASP

SER

ASP

11

VAL

ILE

GLY

ALA

TYR

LEU

SER

Samples:

sample_1: NeT3, [U-95% 13C; U-90% 15N], 0.6 – 1.0 mM; MOPS buffer 10 mM; NaCl 450 mM; DTT 10 mM; benzamidine 1 mM; NaN3 0.01%

conditions_1: pH: 6.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N_HSQC	sample_1	isotropic	conditions_1
1H13C_ct-HSQC_ali	sample_1	isotropic	conditions_1
1H13C_ct-HSQC_aro	sample_1	isotropic	conditions_1
1H13C_HSQC_ali	sample_1	isotropic	conditions_1
1H13C_HSQC_aro	sample_1	isotropic	conditions_1
HNCO	sample_1	not available	conditions_1
GFT (4,3)D HNNCABCA	sample_1	not available	conditions_1
GFT (4,3)D CABCA(CO)NHN	sample_1	not available	conditions_1
GFT (4,3)D HABCAB(CO)NHN	sample_1	not available	conditions_1
GFT (4,3)D HCCH	sample_1	not available	conditions_1
Simultaneous 13C-, 15N-resolved [1H, 1H] NOESY	sample_1	not available	conditions_1
Aromatic 13C-resolved [1H, 1H] NOESY	sample_1	not available	conditions_1

Software:

PROSA v6.0.2, Peter Guentert - data processing

NMRPipe v2.3, Delaglio - data processing

CARA v1.5, Rochus Keller - data analysis

CYANA v2.1, Peter Guentert - structure solution

CNS v1.1, Brunger - structure refinement

VNMR v6.1C, Varian Inc. - data collection

NMR spectrometers:

Varian Inova 600 MHz
Varian Inova 750 MHz

PDB	2FGX
EMBL	CAD86240
REF	NP_842325 WP_011112812