BMRB Entry 17109

Name: The Structure of the Family D Sortase from Bacillus anthracis
Published: 2014-03-04

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17109

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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:

The Structure of the Family D Sortase from Bacillus anthracis

Deposition date:

2010-08-09

Original release date:

2014-03-04

Authors:

Robson, Scott; Weiner, Ethan; Jacobitz, Alex; Clubb, Robert

Citation:

Citation: Robson, Scott; Jacobitz, Alex; Phillips, Martin; Clubb, Robert. "Solution structure of the sortase required for efficient production of infectious Bacillus anthracis spores." Biochemistry 51, 7953-7963 (2012).
PubMed: 22974341

Assembly members:

Assembly members:
Sortase, polymer, 147 residues, 16547.906 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Sortase: GSHMSSQTEHKEGEKVAMLN IPKLKKKFSIYWGADDATLK KGVGMFVSDVTTTPSGGGHT VLSGHRDTVFTDLGQLKEKD TLVLEYDNKTYTYEIQKIWI THADDRTVIIKKEEPILTLT TCYPFDYIGDAPDRYIIEAK LTGSYSK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	528
15N chemical shifts	128
1H chemical shifts	827

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Family D Sortase	1

Entities:

Entity 1, Family D Sortase 147 residues - 16547.906 Da.

1

GLY

SER

HIS

MET

SER

GLN

THR

GLU

HIS

2

LYS

GLU

GLY

GLU

LYS

VAL

ALA

MET

LEU

ASN

3

ILE

PRO

LYS

LEU

LYS

PHE

SER

ILE

4

TYR

TRP

GLY

ALA

ASP

ALA

THR

LEU

LYS

5

LYS

GLY

VAL

GLY

MET

PHE

VAL

SER

ASP

VAL

6

THR

PRO

SER

GLY

HIS

THR

7

VAL

LEU

SER

GLY

HIS

ARG

ASP

THR

VAL

PHE

8

THR

ASP

LEU

GLY

GLN

LEU

LYS

GLU

LYS

ASP

9

THR

LEU

VAL

LEU

GLU

TYR

ASP

ASN

LYS

THR

10

TYR

THR

TYR

GLU

ILE

GLN

LYS

ILE

TRP

ILE

11

THR

HIS

ALA

ASP

ARG

THR

VAL

ILE

12

LYS

GLU

PRO

ILE

LEU

THR

LEU

THR

13

THR

CYS

TYR

PRO

PHE

ASP

TYR

ILE

GLY

ASP

14

ALA

PRO

ASP

ARG

TYR

ILE

GLU

ALA

LYS

15

LEU

THR

GLY

SER

TYR

SER

LYS

Samples:

SrtD: SrtD, [U-100% 13C; U-100% 15N], 1 mM; HEPES 20 mM; PMSF 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	SrtD	isotropic	sample_conditions_1
2D 1H-13C HSQC	SrtD	isotropic	sample_conditions_1
3D CBCA(CO)NH	SrtD	isotropic	sample_conditions_1
3D HNCO	SrtD	isotropic	sample_conditions_1
3D HNCA	SrtD	isotropic	sample_conditions_1
3D HNCACB	SrtD	isotropic	sample_conditions_1
3D HBHA(CO)NH	SrtD	isotropic	sample_conditions_1
3D HCCH-TOCSY	SrtD	isotropic	sample_conditions_1
3D 1H-15N NOESY	SrtD	isotropic	sample_conditions_1
3D 1H-13C NOESY	SrtD	isotropic	sample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz

GB	AAP28746.1 AAP28746 AAT34193 AAT57002 AAT63578 ABK87585
BMRB	18152
PDB	2LN7
DBJ	BAR74314 GAF00419 GAO61843 GAO67625
EMBL	COE74822 CUB43016 CUB56473
REF	NP_847260 WP_000771569 WP_000771599 WP_000771600 WP_000771601