BMRB Entry 17701

Name: 20 NMR solution structures of Bacillus subtilis L,D-transpeptidase refined in water
Published: 2012-05-22

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PDB ID: 3zqd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17701
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 20 NMR solution structures of Bacillus subtilis L,D-transpeptidase refined in water PubMed: 22579252

Deposition date: 2011-06-13 Original release date: 2012-05-22

Authors: Lecoq, Lauriane; Simorre, Jean-Pierre; Bougault, Catherine; Arthur, Michel; Hugonnet, Jean-Emmanuel; Veckerle, Carole; Pessey, Ombeline

Citation: Lecoq, Lauriane; Bougault, Catherine; Hugonnet, Jean-Emmanuel; Veckerle, Carole; Pessey, Ombeline; Arthur, Michel; Simorre, Jean-Pierre. "Dynamics Induced by beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase" Structure 20, 850-861 (2012).

Assembly members:
ykud_no_mutations, polymer, 175 residues, Formula weight is not available

Natural source: Common Name: BACILLUS SUBTILIS SUBSP. SUBTILIS Taxonomy ID: 135461 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

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

Entity Sequences (FASTA):
ykud_no_mutations: GRKLLTYQVKQGDTLNSIAA DFRISTAALLQANPSLQAGL TAGQSIVIPGLPDPYTIPYH IAVSIGAKTLTLSLNNRVMK TYPIAVGKILTQTPTGEFYI INRQRNPGGPFGAYWLSLSK QHYGIHGTNNPASIGKAVSK GCIRMHNKDVIELASIVPNG TRVTINRGSHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	732
15N chemical shifts	187
1H chemical shifts	1171

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
Expt_52 (h[C]_H[C].NOESY)	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

BMRB	18037 25192
PDB	1Y7M 2MTZ 3ZQD 4A1I 4A1J 4A1K 4A52
DBJ	BAI85015 BAM52048 BAM57625 GAK78521
EMBL	CAA10867 CAB13277 CCU57969 CEI56583 CEJ76989
GB	ADV96423 AEP90550 AFQ57337 AGA22168 AGE63257
REF	NP_389287 WP_009968919 WP_010886500 WP_014479657 WP_015252194
SP	O34816

Biological Magnetic Resonance Data Bank

BMRB Entry 17701

Title: 20 NMR solution structures of Bacillus subtilis L,D-transpeptidase refined in water PubMed: 22579252

Additional metadata:

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