BMRB Entry 19624

Name: 1H and 15N chemical shift assignments for circular sortase A
Published: 2013-12-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19624

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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:

1H and 15N chemical shift assignments for circular sortase A

Deposition date:

2013-11-20

Original release date:

2013-12-20

Authors:

Jaudzems, Kristaps; Zhulenkovs, Dmitrijs

Citation:

Citation: Zhulenkovs, Dmitrijs; Jaudzems, Kristaps; Zajakina, Anna; Leonchiks, Ainars. "1H and 15N chemical shift assignments for circular sortase A" to be published ., .-..

Assembly members:

Assembly members:
circular_sortase_A, polymer, 156 residues, Formula weight is not available

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: Firmicutes Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pNW1120

Entity Sequences (FASTA):

Entity Sequences (FASTA):
circular_sortase_A: QAKPQIPKDKSKVAGYIEIP DADIKEPVYPGPATPEQLNR GVSFAEENESLDDQNISIAG HTFIDRPNYQFTNLKAAKKG SMVYFKVGNETRKYKMTSIR DVKPTDVEVLDEQKGKDKQL TLITCDDYNEKTGVWEKRKI FVATEVKTRESGSIEF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	159
1H chemical shifts	892

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	circular sortase A	1

Entities:

Entity 1, circular sortase A 156 residues - Formula weight is not available

Residues 148-156 represent a non-native linker connecting the N- and C-termini of the catalytic domain (residues 59-206) of full length sortase A

1

GLN

ALA

LYS

PRO

GLN

ILE

PRO

LYS

ASP

LYS

2

SER

LYS

VAL

ALA

GLY

TYR

ILE

GLU

ILE

PRO

3

ASP

ALA

ASP

ILE

LYS

GLU

PRO

VAL

TYR

PRO

4

GLY

PRO

ALA

THR

PRO

GLU

GLN

LEU

ASN

ARG

5

GLY

VAL

SER

PHE

ALA

GLU

ASN

GLU

SER

6

LEU

ASP

GLN

ASN

ILE

SER

ILE

ALA

GLY

7

HIS

THR

PHE

ILE

ASP

ARG

PRO

ASN

TYR

GLN

8

PHE

THR

ASN

LEU

LYS

ALA

LYS

GLY

9

SER

MET

VAL

TYR

PHE

LYS

VAL

GLY

ASN

GLU

10

THR

ARG

LYS

TYR

LYS

MET

THR

SER

ILE

ARG

11

ASP

VAL

LYS

PRO

THR

ASP

VAL

GLU

VAL

LEU

12

ASP

GLU

GLN

LYS

GLY

LYS

ASP

LYS

GLN

LEU

13

THR

LEU

ILE

THR

CYS

ASP

TYR

ASN

GLU

14

LYS

THR

GLY

VAL

TRP

GLU

LYS

ARG

LYS

ILE

15

PHE

VAL

ALA

THR

GLU

VAL

LYS

THR

ARG

GLU

16

SER

GLY

SER

ILE

GLU

PHE

Samples:

sample_1: circular sortase A, [U-100% 15N], 0.5 mM; sodium phosphate 10 mM; sodium chloride 20 mM; D2O, [U-100% 2H], 5%; H2O, [U-100% 2H], 95%

sample_conditions_1: ionic strength: 0.0363 M; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

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

Software:

VNMRJ, Varian - collection

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

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	16270 19826
PDB	1IJA 1T2O 1T2P 1T2W 2KID 2MLM
DBJ	BAB43619 BAB58690 BAB96313 BAF68698 BAF79395
EMBL	CAG41587 CAG44229 CAI82090 CAQ50958 CBI50513
GB	AAD48437 AAW37316 ABD22861 ABD31836 ABQ50328
REF	WP_000759357 WP_000759358 WP_000759359 WP_000759360 WP_000759361