BMRB Entry 5768

Name: Solution structure of Copper-CopAS46V from Bacillus subtilis
Published: 2003-09-08

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PDB ID: 1oq6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5768
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of Copper-CopAS46V from Bacillus subtilis

Deposition date:

2003-04-11

Original release date:

2003-09-08

Authors:

Banci, L.; Bertini, I.; Ciofi-Baffoni, S.; Gonnelli, L.; Su, X.

Citation:

Citation: Banci, L.; Bertini, I.; Ciofi-Baffoni, S.; Gonnelli, L.; Su, X.. "A Core Mutation Affecting the Folding Properties of a Soluble Domain of the ATPase Protein CopA from Bacillus subtilis" J. Mol. Biol. 331, 473-484 (2003).
PubMed: 12888353

Assembly members:

Assembly members:
CPx-type ATPase CopA, polymer, 76 residues, Formula weight is not available
CU1, non-polymer, 63.546 Da.

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CPx-type ATPase CopA: MLSEQKEIAMQVSGMTCAAC AARIEKGLKRMPGVTDANVN LATETVNVIYDPAETGTAAI QEKIEKLGYHVVIEGR

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
15N chemical shifts	77
1H chemical shifts	467

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CopA	1
2	copper ion (I)	2

Entities:

Entity 1, CopA 76 residues - Formula weight is not available

1

MET

LEU

SER

GLU

GLN

LYS

GLU

ILE

ALA

MET

2

GLN

VAL

SER

GLY

MET

THR

CYS

ALA

CYS

3

ALA

ARG

ILE

GLU

LYS

GLY

LEU

LYS

ARG

4

MET

PRO

GLY

VAL

THR

ASP

ALA

ASN

VAL

ASN

5

LEU

ALA

THR

GLU

THR

VAL

ASN

VAL

ILE

TYR

6

ASP

PRO

ALA

GLU

THR

GLY

THR

ALA

ILE

7

GLN

GLU

LYS

ILE

GLU

LYS

LEU

GLY

TYR

HIS

8

VAL

ILE

GLU

GLY

ARG

Entity 2, copper ion (I) - Cu - 63.546 Da.

1

CU1

Samples:

sample_1: CPx-type ATPase CopA, [U-15N], 1.2 mM; phosphate 20 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	not available	sample_cond_1
2D TOCSY	sample_1	not available	sample_cond_1
3D 15N-separated NOESY	sample_1	not available	sample_cond_1
HNHA	sample_1	not available	sample_cond_1
HNHB	sample_1	not available	sample_cond_1

Software:

xwinnmr v2.6 - processing

XEASY v1.3 - structure solution

DYANA v1.5 - structure solution

AMBER v5.0 - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz
Bruker AVANCE 800 MHz