BMRB Entry 26510

Name: The Sortase A Enzyme That Attaches Proteins to the Cell Wall of Bacillus anthracis Contains an Unusual Active Site Architecture
Published: 2015-02-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26510

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

The Sortase A Enzyme That Attaches Proteins to the Cell Wall of Bacillus anthracis Contains an Unusual Active Site Architecture

Deposition date:

2015-02-16

Original release date:

2015-02-25

Authors:

Weiner, Ethan; Robson, Scott; Marohn, Melanie; Clubb, Robert

Citation:

Citation: Weiner, Ethan; Robson, Scott; Marohn, Melanie; Clubb, Robert. "The Sortase A Enzyme That Attaches Proteins to the Cell Wall of Bacillus anthracis Contains an Unusual Active Site Architecture" J. Biol. Chem. 285, 23433-23443 (2010).
PubMed: 20489200

Assembly members:

Assembly members:
Ba-SrtA, polymer, 210 residues, Formula weight is not available

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: BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ba-SrtA: MNKQRIYSIVAILLFVVGGV LIGKPFYDGYQAEKKQTENV QAVQKMDYEKHETEFVDASK IDQPDLAEVANASLDKKQVI GRISIPSVSLELPVLKSSTE KNLLSGAATVKENQVMGKGN YALAGHNMSKKGVLFSDIAS LKKGDKIYLYDNENEYEYAV TGVSEVTPDKWEVVEDHGKD EITLITCVSVKDNSKRYVVA GDLVGTKAKK

Data sets:

order_parameters
- order_parameter_list_1

Data type	Count
order parameters	91

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ba-SrtA	1

Entities:

Entity 1, Ba-SrtA 210 residues - Formula weight is not available

1	MET	ASN	LYS	GLN	ARG	ILE	TYR	SER	ILE	VAL
2	ALA	ILE	LEU	LEU	PHE	VAL	VAL	GLY	GLY	VAL
3	LEU	ILE	GLY	LYS	PRO	PHE	TYR	ASP	GLY	TYR
4	GLN	ALA	GLU	LYS	LYS	GLN	THR	GLU	ASN	VAL
5	GLN	ALA	VAL	GLN	LYS	MET	ASP	TYR	GLU	LYS
6	HIS	GLU	THR	GLU	PHE	VAL	ASP	ALA	SER	LYS
7	ILE	ASP	GLN	PRO	ASP	LEU	ALA	GLU	VAL	ALA
8	ASN	ALA	SER	LEU	ASP	LYS	LYS	GLN	VAL	ILE
9	GLY	ARG	ILE	SER	ILE	PRO	SER	VAL	SER	LEU
10	GLU	LEU	PRO	VAL	LEU	LYS	SER	SER	THR	GLU
11	LYS	ASN	LEU	LEU	SER	GLY	ALA	ALA	THR	VAL
12	LYS	GLU	ASN	GLN	VAL	MET	GLY	LYS	GLY	ASN
13	TYR	ALA	LEU	ALA	GLY	HIS	ASN	MET	SER	LYS
14	LYS	GLY	VAL	LEU	PHE	SER	ASP	ILE	ALA	SER
15	LEU	LYS	LYS	GLY	ASP	LYS	ILE	TYR	LEU	TYR
16	ASP	ASN	GLU	ASN	GLU	TYR	GLU	TYR	ALA	VAL
17	THR	GLY	VAL	SER	GLU	VAL	THR	PRO	ASP	LYS
18	TRP	GLU	VAL	VAL	GLU	ASP	HIS	GLY	LYS	ASP
19	GLU	ILE	THR	LEU	ILE	THR	CYS	VAL	SER	VAL
20	LYS	ASP	ASN	SER	LYS	ARG	TYR	VAL	VAL	ALA
21	GLY	ASP	LEU	VAL	GLY	THR	LYS	ALA	LYS	LYS

Samples:

sample_1: Ba-SrtA, [U-100% 15N], 4 mM; MES 10 mM; BisTris 20 mM; D2O 7%; H2O 93%

sample_2: Ba-SrtA, [U-100% 13C; U-100% 15N], 2.5 mM; MES 10 mM; BisTris 20 mM; D2O 7%; H2O 93%

sample_3: Ba-SrtA, [U-100% 13C; U-100% 15N], 2.5 mM; MES 10 mM; BisTris 20 mM; D2O 100%

sample_conditions_1: temperature: 298 K; pH: 6.0; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC 1	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC 2	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC 3	sample_3	isotropic	sample_conditions_1
15N-{1H} NOE 1	sample_1	isotropic	sample_conditions_1
15N-{1H} NOE 2	sample_2	isotropic	sample_conditions_1
15N-{1H} NOE 3	sample_3	isotropic	sample_conditions_1

Software:

Modelfree v4.20, Palmer - Model-free analysis

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

PIPP, Garrett - data analysis

CARA, Keller and Wuthrich - data analysis

SPARKY, Goddard - data analysis

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	11570 16811
PDB	2KW8 2RUI
DBJ	BAL16456 BAR78533 BAR86244 GAE96182 GAO57723
EMBL	CCW04836 CDN34078 CEY33381 CGF95881 CGG53955
GB	AAP07696 AAP24701 AAS39688 AAT29792 AAT52982
REF	NP_830495 NP_843215 WP_001041406 WP_001041710 WP_001041711

1	MET	ASN	LYS	GLN	ARG	ILE	TYR	SER	ILE	VAL
2	ALA	ILE	LEU	LEU	PHE	VAL	VAL	GLY	GLY	VAL
3	LEU	ILE	GLY	LYS	PRO	PHE	TYR	ASP	GLY	TYR
4	GLN	ALA	GLU	LYS	LYS	GLN	THR	GLU	ASN	VAL
5	GLN	ALA	VAL	GLN	LYS	MET	ASP	TYR	GLU	LYS
6	HIS	GLU	THR	GLU	PHE	VAL	ASP	ALA	SER	LYS
7	ILE	ASP	GLN	PRO	ASP	LEU	ALA	GLU	VAL	ALA
8	ASN	ALA	SER	LEU	ASP	LYS	LYS	GLN	VAL	ILE
9	GLY	ARG	ILE	SER	ILE	PRO	SER	VAL	SER	LEU
10	GLU	LEU	PRO	VAL	LEU	LYS	SER	SER	THR	GLU
11	LYS	ASN	LEU	LEU	SER	GLY	ALA	ALA	THR	VAL
12	LYS	GLU	ASN	GLN	VAL	MET	GLY	LYS	GLY	ASN
13	TYR	ALA	LEU	ALA	GLY	HIS	ASN	MET	SER	LYS
14	LYS	GLY	VAL	LEU	PHE	SER	ASP	ILE	ALA	SER
15	LEU	LYS	LYS	GLY	ASP	LYS	ILE	TYR	LEU	TYR
16	ASP	ASN	GLU	ASN	GLU	TYR	GLU	TYR	ALA	VAL
17	THR	GLY	VAL	SER	GLU	VAL	THR	PRO	ASP	LYS
18	TRP	GLU	VAL	VAL	GLU	ASP	HIS	GLY	LYS	ASP
19	GLU	ILE	THR	LEU	ILE	THR	CYS	VAL	SER	VAL
20	LYS	ASP	ASN	SER	LYS	ARG	TYR	VAL	VAL	ALA
21	GLY	ASP	LEU	VAL	GLY	THR	LYS	ALA	LYS	LYS

1	MET	ASN	LYS	GLN	ARG	ILE	TYR	SER	ILE	VAL
2	ALA	ILE	LEU	LEU	PHE	VAL	VAL	GLY	GLY	VAL
3	LEU	ILE	GLY	LYS	PRO	PHE	TYR	ASP	GLY	TYR
4	GLN	ALA	GLU	LYS	LYS	GLN	THR	GLU	ASN	VAL
5	GLN	ALA	VAL	GLN	LYS	MET	ASP	TYR	GLU	LYS
6	HIS	GLU	THR	GLU	PHE	VAL	ASP	ALA	SER	LYS
7	ILE	ASP	GLN	PRO	ASP	LEU	ALA	GLU	VAL	ALA
8	ASN	ALA	SER	LEU	ASP	LYS	LYS	GLN	VAL	ILE
9	GLY	ARG	ILE	SER	ILE	PRO	SER	VAL	SER	LEU
10	GLU	LEU	PRO	VAL	LEU	LYS	SER	SER	THR	GLU
11	LYS	ASN	LEU	LEU	SER	GLY	ALA	ALA	THR	VAL
12	LYS	GLU	ASN	GLN	VAL	MET	GLY	LYS	GLY	ASN
13	TYR	ALA	LEU	ALA	GLY	HIS	ASN	MET	SER	LYS
14	LYS	GLY	VAL	LEU	PHE	SER	ASP	ILE	ALA	SER
15	LEU	LYS	LYS	GLY	ASP	LYS	ILE	TYR	LEU	TYR
16	ASP	ASN	GLU	ASN	GLU	TYR	GLU	TYR	ALA	VAL
17	THR	GLY	VAL	SER	GLU	VAL	THR	PRO	ASP	LYS
18	TRP	GLU	VAL	VAL	GLU	ASP	HIS	GLY	LYS	ASP
19	GLU	ILE	THR	LEU	ILE	THR	CYS	VAL	SER	VAL
20	LYS	ASP	ASN	SER	LYS	ARG	TYR	VAL	VAL	ALA
21	GLY	ASP	LEU	VAL	GLY	THR	LYS	ALA	LYS	LYS