BMRB Entry 18358

Name: The solution structure of the dimeric Acanthaporin
Published: 2012-05-01

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PDB ID: 2lre
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18358
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

The solution structure of the dimeric Acanthaporin

Deposition date:

2012-03-28

Original release date:

2012-05-01

Authors:

Michalek, Matthias; Soennichsen, Frank; Wechselberger, Rainer; Dingley, Andrew; Wienk, Hans; Simanski, Maren; Herbst, Rosa; Lorenzen, Inken; Marciano-Cabral, Francine; Gelhaus, Christoph; Groetzinger, Joachim; Leippe, Matthias

Citation:

Citation: Michalek, Matthias; Soennichsen, Frank; Wechselberger, Rainer; Dingley, Andrew; Wienk, Hans; Simanski, Maren; Herbst, Rosa; Lorenzen, Inken; Marciano-Cabral, Francine; Gelhaus, Christoph; Groetzinger, Joachim; Leippe, Matthias. "The solution structure of the dimeric Acanthaporin" .

Assembly members:

Assembly members:
acanthaporin_dimer, polymer, 61 residues, 6001.235 Da.

Natural source:

Natural source: Common Name: Acanthamoeba culbertsoni Taxonomy ID: 43142 Superkingdom: Eukaryota Kingdom: not available Genus/species: Acanthamoeba culbertsoni

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
acanthaporin_dimer: AMGKCSVLKKVACAAAIAGA VAACGGIDLPCVLAALKAAE GCASCFCEDHCHGVCKDLHL C

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	43
1H chemical shifts	220

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	acanthaporin_dimer, chain 1	1
2	acanthaporin_dimer, chain 2	1

Entities:

Entity 1, acanthaporin_dimer, chain 1 61 residues - 6001.235 Da.

1

ALA

MET

GLY

LYS

CYS

SER

VAL

LEU

LYS

2

VAL

ALA

CYS

ALA

ILE

ALA

GLY

ALA

3

VAL

ALA

CYS

GLY

ILE

ASP

LEU

PRO

4

CYS

VAL

LEU

ALA

LEU

LYS

ALA

GLU

5

GLY

CYS

ALA

SER

CYS

PHE

CYS

GLU

ASP

HIS

6

CYS

HIS

GLY

VAL

CYS

LYS

ASP

LEU

HIS

LEU

7

CYS

Samples:

sample_1: acanthaporin_dimer, [U-100% 15N], 0.7 mM; TRIS, [U-2H], 25 mM; sodium azide 0.001%; H2O 93%; D2O 7%

sample_2: acanthaporin_dimer, [U-100% 15N], 0.7 mM; TRIS, [U-2H], 25 mM; sodium azide 0.001%; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.025 M; pH: 8.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 750 MHz

BMRB	16727 16819 18357
PDB	2LRD 2LRE
GB	AEC33273