BMRB Entry 5303

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PDB ID: 1j56
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5303
MolProbity Validation Chart

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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 and backbone dynamics of beryllofluoride-activated NTRC receiver domain

Deposition date:

2002-02-25

Original release date:

2003-08-27

Authors:

Hastings, C.; Lee, S.-Y.; Cho, H.; Yan, D.; Kustu, S.; Wemmer, D.

Citation:

Citation: Hastings, C.; Lee, S-Y.; Cho, H.; Yan, D.; Kustu, S.; Wemmer, D.. "High-resolution Solution Structure of the Beryllofluoride-activated NtrC Receiver Domain " Biochemistry 42, 9081-9090 (2003).
PubMed: 12885241

Assembly members:

Assembly members:
nitrogen regulation protein NR(I), polymer, 124 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 602 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella typhimurium

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
nitrogen regulation protein NR(I): MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSDIRMPGM DGLALLKQIKQRHPMLPVII MTAHSDLDAAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- coupling_constant_1

Data type	Count
1H chemical shifts	804
13C chemical shifts	371
15N chemical shifts	117
coupling constants	76

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nitrogen regulation protein NR(I)	1

Entities:

Entity 1, nitrogen regulation protein NR(I) 124 residues - Formula weight is not available

1

MET

GLN

ARG

GLY

ILE

VAL

TRP

VAL

ASP

2

ASP

SER

ILE

ARG

TRP

VAL

LEU

GLU

3

ARG

ALA

LEU

ALA

GLY

ALA

GLY

LEU

THR

CYS

4

THR

PHE

GLU

ASN

GLY

ASN

GLU

VAL

LEU

5

ALA

LEU

ALA

SER

LYS

THR

PRO

ASP

VAL

6

LEU

SER

ASP

ILE

ARG

MET

PRO

GLY

MET

7

ASP

GLY

LEU

ALA

LEU

LYS

GLN

ILE

LYS

8

GLN

ARG

HIS

PRO

MET

LEU

PRO

VAL

ILE

9

MET

THR

ALA

HIS

SER

ASP

LEU

ASP

ALA

10

VAL

SER

ALA

TYR

GLN

GLY

ALA

PHE

ASP

11

TYR

LEU

PRO

LYS

PRO

PHE

ASP

ILE

ASP

GLU

12

ALA

VAL

ALA

LEU

VAL

GLU

ARG

ALA

ILE

SER

13

HIS

TYR

GLN

GLU

Samples:

sample_1: nitrogen regulation protein NR(I), [U-15N], 1.1 – 1.5 mM; sodium phosphate buffer 50 mM; NaCl 50 mM; BeCl2 4.4 mM; MgCl2 7.2 mM; NaF 29 mM; H2O 95%; D2O 5%

sample_2: nitrogen regulation protein NR(I), [U-13C; U-15N], 1.1 – 1.5 mM; sodium phosphate buffer 50 mM; NaCl 50 mM; BeCl2 4.4 mM; MgCl2 7.2 mM; NaF 29 mM; H2O 95%; D2O 5%

sample_3: nitrogen regulation protein NR(I), [U-10% 13C], 1.1 – 1.5 mM; sodium phosphate buffer 50 mM; NaCl 50 mM; BeCl2 4.4 mM; MgCl2 7.2 mM; NaF 29 mM; H2O 95%; D2O 5%

sample_4: nitrogen regulation protein NR(I), [U-15N], 1.1 – 1.5 mM; sodium phosphate buffer 50 mM; NaCl 50 mM; BeCl2 4.4 mM; MgCl2 7.2 mM; NaF 29 mM; H2O 95%; D2O 5%; phage pf1 30 mg/mL

sample_cond_1: pH: 6.75; temperature: 303 K; ionic strength: 140 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	not available	not available	not available
4D 13C/15N-separated NOESY	not available	not available	not available
4D 13C-separated NOESY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available
HNCA-J	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
13C,1H-HSQC	not available	not available	not available
IPAP-HSQC	not available	not available	not available
HNHA	not available	not available	not available

Software:

DYANA v1.5 - structure solution

X-PLOR vCNS 1.0 - structure solution

FELIX - processing

NMRVIEW - data analysis

NMR spectrometers:

Bruker DRX 500 MHz

BMRB	4527 4528 4762 4763 4764
PDB	1DC7 1DC8 1J56 1KRW 1KRX 1NTR
DBJ	BAB38213 BAE77441 BAG79675 BAI27885 BAI33008
EMBL	CAA28808 CAA59425 CAD03095 CAP78325 CAQ34219
GB	AAB03002 AAC76865 AAG59057 AAL22844 AAN45373
PIR	AC0950 E86074
REF	NP_290493 NP_312817 NP_418304 NP_458044 NP_462885
SP	P0AFB8 P0AFB9 P41789
AlphaFold	P0AFB8 P0AFB9 P41789 P0AFB8 P0AFB9 P41789 P0AFB8 P0AFB9 P41789