BMRB Entry 25955

Name: Solution structure of reduced and zinc-bound RsrA
Published: 2016-08-01

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PDB ID: 5frf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25955
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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 of reduced and zinc-bound RsrA

Deposition date:

2016-01-15

Original release date:

2016-08-01

Authors:

Zdanowski, K.; Pecqueur, L.; Werner, J.; Potts, Jennifer; Kleanthous, C.

Citation:

Citation: Rajasekar, K.; Zdanowski, K.; Yan, J.; Hopper, J.; Francis, M.; Seepersad, C.; Sharp, C.; Pecqueur, L.; Werner, J.; Robinson, C.; Mohammed, S.; Potts, Jennifer; Kleanthous, C.. "The anti-sigma factor RsrA responds to oxidative stress by reburying its hydrophobic core" Nat. Commun. 7, 12194-12194 (2016).
PubMed: 27432510

Assembly members:

Assembly members:
ANTI-SIGMA_FACTOR_RSRA, polymer, 108 residues, 11807.9444 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: Streptomyces coelicolor Taxonomy ID: 1902 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces coelicolor

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: n/a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ANTI-SIGMA_FACTOR_RSRA: GSHMSAGEPHETDCSEILDH LYEFLDKEMPDSDAVKFEHH FEESSPCLEKYGLEQAVKKL VKRAAGQDDVPGDLRAKVMG RLDLIRSGQSVPEHDVAAAP SSSAPQES

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	289
15N chemical shifts	93
1H chemical shifts	598

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ANTI-SIGMA FACTOR RSRA	1
2	ZINC ION	2

Entities:

Entity 1, ANTI-SIGMA FACTOR RSRA 108 residues - 11807.9444 Da.

1

GLY

SER

HIS

MET

SER

ALA

GLY

GLU

PRO

HIS

2

GLU

THR

ASP

CYS

SER

GLU

ILE

LEU

ASP

HIS

3

LEU

TYR

GLU

PHE

LEU

ASP

LYS

GLU

MET

PRO

4

ASP

SER

ASP

ALA

VAL

LYS

PHE

GLU

HIS

5

PHE

GLU

SER

PRO

CYS

LEU

GLU

LYS

6

TYR

GLY

LEU

GLU

GLN

ALA

VAL

LYS

LEU

7

VAL

LYS

ARG

ALA

GLY

GLN

ASP

VAL

8

PRO

GLY

ASP

LEU

ARG

ALA

LYS

VAL

MET

GLY

9

ARG

LEU

ASP

LEU

ILE

ARG

SER

GLY

GLN

SER

10

VAL

PRO

GLU

HIS

ASP

VAL

ALA

PRO

11

SER

ALA

PRO

GLN

GLU

SER

Entity 2, ZINC ION - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: ANTI-SIGMA FACTOR RSRA, [U-13C; U-15N], 1.25 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 7.100; pressure: 1 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	solution	sample_conditions_1
TOCSY (2D and 3D) HNCA	sample_1	solution	sample_conditions_1
CBCANH and CBCA(CO)NH	sample_1	solution	sample_conditions_1
HNCO and HN(CA)CO	sample_1	solution	sample_conditions_1
HNCA	sample_1	solution	sample_conditions_1
CBCANH	sample_1	solution	sample_conditions_1
CBCA(CO)NH	sample_1	solution	sample_conditions_1
HNCO	sample_1	solution	sample_conditions_1
HN(CA)CO	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

UNP	Q9RL96 RSRA_STRCO
AlphaFold	Q9RL96