BMRB Entry 19185

Name: Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens
Published: 2013-10-17

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PDB ID: 2m7g
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19185
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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:

Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens

Deposition date:

2013-04-22

Original release date:

2013-10-17

Authors:

Reardon, Patrick; Mueller, Karl

Citation:

Citation: Reardon, Patrick; Mueller, Karl. "Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens" .

Assembly members:

Assembly members:
PilA, polymer, 61 residues, 6576.573 Da.

Natural source:

Natural source: Common Name: d-proteobacteria Taxonomy ID: 35554 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacter sulfurreducens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PilA: FTLIELLIVVAIIGILAAIA IPQFSAYRVKAYNSAASSDL RNLKTALESAFADDQTYPPE S

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	221
15N chemical shifts	58
1H chemical shifts	396

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PilA	1

Entities:

Entity 1, PilA 61 residues - 6576.573 Da.

1

PHE

THR

LEU

ILE

GLU

LEU

ILE

VAL

2

ALA

ILE

GLY

ILE

LEU

ALA

ILE

ALA

3

ILE

PRO

GLN

PHE

SER

ALA

TYR

ARG

VAL

LYS

4

ALA

TYR

ASN

SER

ALA

SER

ASP

LEU

5

ARG

ASN

LEU

LYS

THR

ALA

LEU

GLU

SER

ALA

6

PHE

ALA

ASP

GLN

THR

TYR

PRO

GLU

7

SER

Samples:

sample_1: PilA, [U-13C; U-15N], 1 mM; DHPC, [U-2H], 200 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1

Software:

VNMRJ v3.2, Varian - collection

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

SPARKY, Goddard - data analysis

CARA, Keller and Wuthrich - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Varian VNMRs 800 MHz
Varian VNMRs 750 MHz

PDB	2M7G
GB	AAR34870 ADI84335
REF	NP_952547 WP_010942142 WP_049786599