BMRB Entry 16748

Name: Complete 1H, 13C, and 15N Chemical Shift Assignments for AafA-dsc
Published: 2011-06-09

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16748

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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:

Complete 1H, 13C, and 15N Chemical Shift Assignments for AafA-dsc

Deposition date:

2010-03-02

Original release date:

2011-06-09

Authors:

Matthews, Steve; Yang, Yi

Citation:

Citation: Yang, Yi; Berry, Andrea; Lee, Wei-Chao; Garnett, James; Marchant, Jan; Levine, Jonathan; Simpson, Peter; Fogel, Sarah; Varney, Kristen; Matthews, Steven; Nataro, James; Inman, Keith. "Complete 1H, 13C and 15N NMR assignments for donor-strand complemented AafA, the major pilin of aggregative adherence fimbriae (AAF/II) from enteroaggregative E. coli" Biomol. NMR Assignments 5, 1-5 (2011).
PubMed: 20814767

Assembly members:

Assembly members:
AafA-dsc, polymer, 157 residues, 16942.1 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AafA-dsc: MRGSHHHHHHGSNFCDITIT PATNRDVNVDRSANIDLSFT IRQPQRCADAGMRIKAWGEA NHGQLLIKPQGGNKSAGFTL ASPRFSYIPNNPANIMNGFV LTNPGVYQLGMQGSITPAIP LRPGLYEVVLNAELVTNDNK QNATAVAKTATSTITVV

Data sets:

assigned_chemical_shifts
- assignments_aafa

Data type	Count
13C chemical shifts	607
15N chemical shifts	136
1H chemical shifts	944

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AafA-dsc	1

Entities:

Entity 1, AafA-dsc 157 residues - 16942.1 Da.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

ASN

PHE

CYS

ASP

ILE

THR

ILE

THR

3

PRO

ALA

THR

ASN

ARG

ASP

VAL

ASN

VAL

ASP

4

ARG

SER

ALA

ASN

ILE

ASP

LEU

SER

PHE

THR

5

ILE

ARG

GLN

PRO

GLN

ARG

CYS

ALA

ASP

ALA

6

GLY

MET

ARG

ILE

LYS

ALA

TRP

GLY

GLU

ALA

7

ASN

HIS

GLY

GLN

LEU

ILE

LYS

PRO

GLN

8

GLY

ASN

LYS

SER

ALA

GLY

PHE

THR

LEU

9

ALA

SER

PRO

ARG

PHE

SER

TYR

ILE

PRO

ASN

10

ASN

PRO

ALA

ASN

ILE

MET

ASN

GLY

PHE

VAL

11

LEU

THR

ASN

PRO

GLY

VAL

TYR

GLN

LEU

GLY

12

MET

GLN

GLY

SER

ILE

THR

PRO

ALA

ILE

PRO

13

LEU

ARG

PRO

GLY

LEU

TYR

GLU

VAL

LEU

14

ASN

ALA

GLU

LEU

VAL

THR

ASN

ASP

ASN

LYS

15

GLN

ASN

ALA

THR

ALA

VAL

ALA

LYS

THR

ALA

16

THR

SER

THR

ILE

THR

VAL

Samples:

sample_AafA-dsc: AafA-dsc, [U-100% 13C; U-100% 15N], 500 uM; H2O 90%; D2O 10%

sample_conditions: ionic strength: 50 mM; pH: 5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_AafA-dsc	isotropic	sample_conditions
3D CBCA(CO)NH	sample_AafA-dsc	isotropic	sample_conditions
3D C(CO)NH	sample_AafA-dsc	isotropic	sample_conditions
3D HNCO	sample_AafA-dsc	isotropic	sample_conditions
3D HNCACB	sample_AafA-dsc	isotropic	sample_conditions
3D CBCA(CO)NH	sample_AafA-dsc	isotropic	sample_conditions
3D HBHA(CO)NH	sample_AafA-dsc	isotropic	sample_conditions
3D HCCH-TOCSY	sample_AafA-dsc	isotropic	sample_conditions
3D C(CO)NH	sample_AafA-dsc	isotropic	sample_conditions

Software:

NMRView, One Moon Scientific, Inc - data analysis

NMR spectrometers:

Bruker DRX 500 MHz

BMRB	25001
PDB	2MPV
GB	AAB82330