BMRB Entry 18911

Name: NMR STRUCTURE OF THE CATALYTIC DOMAIN FROM E. FAECIUM L,D- TRANSPEPTIDASE ACYLATED BY ERTAPENEM
Published: 2013-04-22

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PDB ID: 3zgp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18911
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR STRUCTURE OF THE CATALYTIC DOMAIN FROM E. FAECIUM L,D- TRANSPEPTIDASE ACYLATED BY ERTAPENEM PubMed: 23574509

Deposition date: 2012-12-19 Original release date: 2013-04-22

Authors: Lecoq, L.; Triboulet, S.; Dubee, V.; Bougault, C.; Hugonnet, J.; Arthur, M.; Simorre, Jean-Pierre; Simorre, M.

Citation: Lecoq, Lauriane; Dubee, Vincent; Triboulet, Sebastien; Bougault, Catherine; Hugonnet, Jean-Emmanuel; Arthur, Michel; Simorre, Jean-Pierre. "Structure of Enterococcus faeciuml,d-transpeptidase acylated by ertapenem provides insight into the inactivation mechanism." ACS Chem. Biol. 8, 1140-1146 (2013).

Assembly members:
ERFK-YBIS-YCFS-YNHG, polymer, 129 residues, 14549.0884 Da.
entity_1RG, non-polymer, 477.531 Da.

Natural source: Common Name: Enterococcus faecium Taxonomy ID: 1352 Superkingdom: Bacteria Kingdom: not available Genus/species: Enterococcus faecium

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

Entity Sequences (FASTA):
ERFK-YBIS-YCFS-YNHG: GHMEDTYIEVDLENQHMWYY KDGKVALETDIVSGKPTTPT PAGVFYVWNKEEDATLKGTN DDGTPYESPVNYWMPIDWTG VGIHDSDWQPEYGGDLWKTR GSHGCINTPPSVMKELFGMV EKGTPVLVF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	555
15N chemical shifts	130
1H chemical shifts	871

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	ERFK-YBIS-YCFS-YNHG	1
2	ligand 1RG	2

Name	Sample	Sample state	Sample conditions
1H-15N-HSQC	sample_1	solution	sample_conditions_1
1H-13C-HSQC centered on aliphatics	sample_1	solution	sample_conditions_1
1H-15N-HMQC detecting 2J	sample_1	solution	sample_conditions_1
3J couplings in histidines imidazole ring	sample_1	solution	sample_conditions_1
HSQC detecting 1J coupling in histidines imidazole ring	sample_1	solution	sample_conditions_1
HNCACB	sample_1	solution	sample_conditions_1
HNCO	sample_1	solution	sample_conditions_1
3D-15N-NOESY-HSQC	sample_1	solution	sample_conditions_1
3D-13C-NOESY-HSQC centered on aliphatics	sample_1	solution	sample_conditions_1
1H-13C-HSQC centered on aromatics	sample_2	solution	sample_conditions_1
3D-13C-NOESY-HSQC centered on aromatics	sample_2	solution	sample_conditions_1
13C-15N-filtered NOESY	sample_2	solution	sample_conditions_1

UNP	Q3Y185_ENTFC
BMRB	18900
PDB	1ZAT 2HKL 3ZG4 3ZGP
GB	AFC64689 AFK60179 AGE31159 AGS76645 AII39985
REF	WP_002287397 WP_002290929 WP_002296050 WP_002298179 WP_002307701

Biological Magnetic Resonance Data Bank

BMRB Entry 18911

Title: NMR STRUCTURE OF THE CATALYTIC DOMAIN FROM E. FAECIUM L,D- TRANSPEPTIDASE ACYLATED BY ERTAPENEM PubMed: 23574509

Additional metadata:

Assembly:

Entities:

Samples:

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