BMRB Entry 27656

Name: Backbone assignments and relaxation rates for apo L57M AdcR
Published: 2018-11-01

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27656

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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:

Backbone assignments and relaxation rates for apo L57M AdcR

Deposition date:

2018-10-18

Original release date:

2018-11-01

Authors:

Capdevila, Daiana; Edmonds, Katherine; Wu, Hongwei; Giedroc, David

Citation:

Citation: Capdevila, Daiana; Huerta, Fidel; Edmonds, Katherine; Le, My; Wu, Hongwei; Giedroc, David. "Tuning site-specific dynamics to drive allosteric activation in a pneumococcal zinc uptake regulator" eLife 7, e37268-e37268 (2018).
PubMed: 30328810

Assembly members:

Assembly members:
AdcR_chain, polymer, 146 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AdcR_chain: MRQLAKDINAFLNEVILQAE NQHEILIGHCTSEVALTNTQ EHILMLLSEESLTNSEMARR LNVSQAAVTKAIKSLVKEGM LETSKDSKDARVIFYQLTDL ARPIAEEHHHHHEHTLLTYE QVATQFTPNEQKVIQRFLTA LVGEIK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_800

Data type	Count
15N chemical shifts	137
1H chemical shifts	137
T1 relaxation values	137
T2 relaxation values	137
heteronuclear NOE values	137

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AdcR_chain1	1
2	AdcR_chain2	1

Entities:

Entity 1, AdcR_chain1 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

MET

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

Samples:

DCN: AdcR_chain, [U-13C; U-15N; U-2H], 0.45 mM; MES 25 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM; TCEP 1 mM

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	DCN	isotropic	sample_conditions_1
3D HNCACB	DCN	isotropic	sample_conditions_1
2D heteronuclear NOE	DCN	isotropic	sample_conditions_1
pseudo 3D TROSY T1	DCN	isotropic	sample_conditions_1
pseudo 3D Trosy Constant Relaxation Time CPMG experiment for NH	DCN	isotropic	sample_conditions_1
pseudo 3D TROSY T2	DCN	isotropic	sample_conditions_1
2D 1H-15N HSQC	DCN	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - data analysis

VNMRJ, Varian - collection

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

CARA, Keller, Wuethrich - chemical shift assignment

Origin, OriginLab - data analysis

hmsIST, Hyberts, Wagner - processing

NMR spectrometers:

Varian INOVA 800 MHz
Bruker Avance Neo 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks