BMRB Entry 16270

Name: SOLUTION STRUCTURE OF THE S. AUREUS SORTASE A-SUBSTRATE COMPLEX
Published: 2009-07-16

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PDB ID: 2kid
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16270
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: SOLUTION STRUCTURE OF THE S. AUREUS SORTASE A-SUBSTRATE COMPLEX PubMed: 19592495

Deposition date: 2009-05-01 Original release date: 2009-07-16

Authors: Suree, Nuttee; Liew, Chu; Villareal, Valerie; Thieu, William; Fadeev, Evgeny; Clemens, Jeremy; Jung, Michael; Clubb, Robert

Citation: Suree, Nuttee; Liew, Chu; Villareal, Valerie; Thieu, William; Fadeev, Evgeny; Clemens, Jeremy; Jung, Michael; Clubb, Robert. "The structure of the Staphylococcus aureus sortase-substrate complex reveals how the universally conserved LPXTG sorting signal is recognized" J. Biol. Chem. 284, 24465-24477 (2009).

Assembly members:
Sortase_A, polymer, 148 residues, 16753.145 Da.
Cbz-LPAT, polymer, 5 residues, 1298.356 Da.
CA, non-polymer, 40.078 Da.

Natural source: Common Name: Firmicutes Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: STAPHYLOCOCCUS AUREUS

Experimental source: Production method: recombinant technology Host organism: ESCHERICHIA COLI

Entity Sequences (FASTA):
Sortase_A: MQAKPQIPKDKSKVAGYIEI PDADIKEPVYPGPATPEQLN RGVSFAEENESLDDQNISIA GHTFIDRPNYQFTNLKAAKK GSMVYFKVGNETRKYKMTSI RDVKPTDVGVLDEQKGKDKQ LTLITCDDYNEKTGVWEKRK IFVATEVK
Cbz-LPAT: XLPAX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	636
15N chemical shifts	157
1H chemical shifts	1017

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Sortase A	1
2	Cbz-LPAT*	2
3	Calcium	3

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	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 1H-13C NOESY	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D C(CO)NH	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_1
3D HNHA	sample_3	isotropic	sample_conditions_1
3D HNHB	sample_3	isotropic	sample_conditions_1
3D HCCH-COSY	sample_3	isotropic	sample_conditions_1

BMRB	19624 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

Biological Magnetic Resonance Data Bank

BMRB Entry 16270

Title: SOLUTION STRUCTURE OF THE S. AUREUS SORTASE A-SUBSTRATE COMPLEX PubMed: 19592495

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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