BMRB Entry 17196

Name: Solution structure of the putative copper-ion-binding protein from Bacillus anthracis str. Ames
Published: 2012-08-01

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PDB ID: 2l3m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17196
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of the putative copper-ion-binding protein from Bacillus anthracis str. Ames

Deposition date:

2010-09-16

Original release date:

2012-08-01

Authors:

Zhang, Yongbo; Winsor, James; Dubrovska, Ievgeniia; Anderson, Wayne; Radhakrishnan, Ishwar; CSGID, CSGID

Citation:

Citation: Zhang, Yongbo; Winsor, James; Dubrovska, Ievgeniia; Anderson, Wayne; Radhakrishnan, Ishwar; CSGID, CSGID. "To be published" .

Assembly members:

Assembly members:
Cu-binding protein, polymer, 71 residues, 7583.525 Da.

Natural source:

Natural source: Common Name: Anthrax Taxonomy ID: 1392 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus anthracis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMCSG7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cu-binding protein: SNAMEQLTLQVEGMSCGHCV NAIESSVKELNGVEQVKVQL AEGTVEVTIDSSVVTLKDIV AVIEDQGYDVQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	290
15N chemical shifts	73
1H chemical shifts	483

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Cu-binding protein	1

Entities:

Entity 1, Cu-binding protein 71 residues - 7583.525 Da.

1

SER

ASN

ALA

MET

GLU

GLN

LEU

THR

LEU

GLN

2

VAL

GLU

GLY

MET

SER

CYS

GLY

HIS

CYS

VAL

3

ASN

ALA

ILE

GLU

SER

VAL

LYS

GLU

LEU

4

ASN

GLY

VAL

GLU

GLN

VAL

LYS

VAL

GLN

LEU

5

ALA

GLU

GLY

THR

VAL

GLU

VAL

THR

ILE

ASP

6

SER

VAL

THR

LEU

LYS

ASP

ILE

VAL

7

ALA

VAL

ILE

GLU

ASP

GLN

GLY

TYR

ASP

VAL

8

GLN

Samples:

sample_1: Cu-binding protein, [U-13C; U-15N], 1.1 mM; potassium phosphate 20 mM; sodium chloride 100 mM; beta-mercaptoethanol 1 mM; EDTA 1 mM; Protease Inhibitors trace na; sodium azide 1 mM; H2O 90%; D2O 10%

sample_2: Cu-binding protein, [U-13C; U-15N], 0.9 mM; potassium phosphate 20 mM; sodium chloride 100 mM; beta-mercaptoethanol 1 mM; EDTA 1 mM; Protease Inhibitors trace na; sodium azide 1 mM; D2O 100%

sample_conditions_1: ionic strength: 0.12 M; pH: 6.9; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D HCCH-COSY	sample_2	isotropic	sample_conditions_1

Software:

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

ARIA, Linge, O'Donoghue and Nilges - refinement

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

SPARKY, Goddard - data analysis

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2L3M
DBJ	BAL19353 BAR75482 BAR82899 GAE99237 GAO60688
EMBL	CCW06190 CDN37228 CGF80291 CGG45637 CIZ75704
GB	AAP10657 AAP27596 AAS42664 AAT32973 AAT55880
REF	NP_833456 NP_846110 WP_000436970 WP_000436971 WP_000436972