BMRB Entry 18414

Name: Zn(II)-AdcR
Published: 2013-01-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18414

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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: Zn(II)-AdcR PubMed: 23138857

Deposition date: 2012-04-22 Original release date: 2013-01-03

Authors: Guerra, Alfredo; Giedroc, David

Citation: Guerra, Alfredo; Giedroc, David. "Backbone and sterospecific methyl side chain resonance assignments of the homodimeric zinc sensor AdcR (32 kDa) in the apo- and Zn(II)-bound states." Biomol. NMR Assignments 8, 11-14 (2014).

Assembly members:
AdcR, polymer, 146 residues, Formula weight is not available
ZINC ION, non-polymer, 65.409 Da.

Natural source: Common Name: Streptococcus pneumoniae D39 Taxonomy ID: 373153 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
AdcR: MRQLAKDINAFLNEVILQAE NQHEILIGHCTSEVALTNTQ EHILMLLSEESLTNSELARR LNVSQAAVTKAIKSLVKEGM LETSKDSKDARVIFYQLTDL ARPIAEEHHHHHEHTLLTYE QVATQFTPNEQKVIQRFLTA LVGEIK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	475
15N chemical shifts	139
1H chemical shifts	307

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Subunit 1	1
2	Subunit 2	1
3	Zinc (II) ion)	2

Entities:

Entity 1, Subunit 1 146 residues - Formula weight is not available

1

MET

ARG

GLN

LEU

ALA

LYS

ASP

ILE

ASN

ALA

2

PHE

LEU

ASN

GLU

VAL

ILE

LEU

GLN

ALA

GLU

3

ASN

GLN

HIS

GLU

ILE

LEU

ILE

GLY

HIS

CYS

4

THR

SER

GLU

VAL

ALA

LEU

THR

ASN

THR

GLN

5

GLU

HIS

ILE

LEU

MET

LEU

SER

GLU

6

SER

LEU

THR

ASN

SER

GLU

LEU

ALA

ARG

7

LEU

ASN

VAL

SER

GLN

ALA

VAL

THR

LYS

8

ALA

ILE

LYS

SER

LEU

VAL

LYS

GLU

GLY

MET

9

LEU

GLU

THR

SER

LYS

ASP

SER

LYS

ASP

ALA

10

ARG

VAL

ILE

PHE

TYR

GLN

LEU

THR

ASP

LEU

11

ALA

ARG

PRO

ILE

ALA

GLU

HIS

12

HIS

GLU

HIS

THR

LEU

THR

TYR

GLU

13

GLN

VAL

ALA

THR

GLN

PHE

THR

PRO

ASN

GLU

14

GLN

LYS

VAL

ILE

GLN

ARG

PHE

LEU

THR

ALA

15

LEU

VAL

GLY

GLU

ILE

LYS

Entity 2, Zinc (II) ion) - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: AdcR, [U-100% 13C; U-100% 15N; U-80% 2H], 600 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.00; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	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 HN(CA)CB	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1

Software:

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

SPARKY, Goddard - data analysis, peak picking

NMR spectrometers:

Varian VNMRS 600 MHz
Varian VNMRS 800 MHz

BMRB	18413
PDB	3TGN
EMBL	CAA96184 CAR69937 CBJ23263 CBW33569 CBW35616
GB	AAK76226 AAL00780 ABJ54931 ACA36761 ACB91392
REF	NP_359569 WP_000042198 WP_001249307 WP_001249308 WP_001249309
SP	Q04I02

Biological Magnetic Resonance Data Bank