BMRB Entry 19422

Name: Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from Streptomyces lividans:Nosiheptide in Complex with TipAS
Published: 2014-12-08

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PDB ID: 2mc0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19422
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from Streptomyces lividans:Nosiheptide in Complex with TipAS

Deposition date: 2013-08-12 Original release date: 2014-12-08

Authors: Habazettl, Judith; Allan, Martin; Jensen, Pernille; Sass, Hans-Juergen; Grzesiek, Stephan

Citation: Habazettl, Judith; Allan, Martin; Jensen, Pernille; Sass, J rgen; Grzesiek, Stephan. "Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from Streptomyces lividans" Not known ., .-..

Assembly members:
TipAS, polymer, 144 residues, 16453.025 Da.
nosiheptide, polymer, 14 residues, 1050.172 Da.

Natural source: Common Name: Streptomyces lividans Taxonomy ID: 1916 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces lividans

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

Entity Sequences (FASTA):
TipAS: MGINLTPEEKFEVFGDFDPD QYEEEVRERWGNTDAYRQSK EKTASYTKEDWQRIQDEADE LTRRFVALMDAGEPADSEGA MDAAEDHRQGIARNHYDCGY EMHTCLGEMYVSDERFTRNI DAAKPGLAAYMRDAILANAV RHTP
nosiheptide: SXTXXXXCXXXXXX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	600
15N chemical shifts	153
1H chemical shifts	983

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	TipAS	1
2	nosiheptide	2

Samples:

sample_1: TipAS, [U-98% 15N], 1 mM; nosiheptide 2 mM; potassium phosphate 50 mM; sodium azide 0.02 w/v; H2O 95%; D2O 5%

sample_2: TipAS, [U-99% 13C; U-99% 15N], 1 mM; nosiheptide 2 mM; potassium phosphate 50 mM; sodium azide 0.02 w/v; H2O 95%; D2O 5%

sample_3: TipAS, [U-99% 13C; U-99% 15N], 1 mM; nosiheptide 2 mM; potassium phosphate 50 mM; sodium azide 0.02 w/v; D2O 100%

sample_4: TipAS, [U-99% 13C; U-99% 15N], 0.8 mM; nosiheptide 1.6 mM; potassium phosphate 10 mM; Pf1 phage 10 mg/mL; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.055 M; pH: 5.9; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.055 M; pH: 5.9; pressure: 1 atm; temperature: 298 K

sample_conditions_3: ionic strength: 0.055 M; pD: 5.9; pressure: 1 atm; temperature: 298 K

sample_conditions_4: ionic strength: 0.011 M; pH: 5.9; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_3	isotropic	sample_conditions_3
3D HNCO	sample_2	isotropic	sample_conditions_2
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_2
3D C(CO)NH	sample_2	isotropic	sample_conditions_2
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_2
3D HC(CO)NH TOCSY	sample_2	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_3
3D HNHA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_3	isotropic	sample_conditions_3
3D 1H-13C NOESY aromatic	sample_3	isotropic	sample_conditions_3
2D 1H-1H NOESY/filter against 13C-15N	sample_3	isotropic	sample_conditions_3
2D 1H-1H NOESY/filter against 13C-15N	sample_2	isotropic	sample_conditions_2
2D 1H-1H TOCSY/filter against 13C-15N	sample_3	isotropic	sample_conditions_3
Doublet-separated 2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
Doublet-separated 2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_4
J-resolved ct 13C-HSQC	sample_2	isotropic	sample_conditions_2
J-resolved ct 13C-HSQC	sample_4	isotropic	sample_conditions_4
3D CBCANH	sample_2	isotropic	sample_conditions_2

BMRB	19421
PDB	1NY9 2MBZ 2MC0
DBJ	BAD11210 BAD11216 BAD11222 BAD11228 BAD11234
EMBL	CAB42766
GB	AAB27737 AAC13653 AIJ15084 AIV35032 EFD68501
REF	NP_627619 WP_003975420 WP_007452041 WP_052836374
SP	P0A4T8 P0A4T9

Biological Magnetic Resonance Data Bank

BMRB Entry 19422

Title: Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from Streptomyces lividans:Nosiheptide in Complex with TipAS

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