BMRB Entry 25886

Name: Solution structure of acyl carrier protein LipD from Actinoplanes friuliensis
Published: 2016-11-14

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PDB ID: 2n98
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25886
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of acyl carrier protein LipD from Actinoplanes friuliensis PubMed: 28187530

Deposition date: 2015-11-10 Original release date: 2016-11-14

Authors: Paul, Subrata; Ishida, Hiroaki; Liu, Zhihong; Nguyen, Leonard; Vogel, Hans

Citation: Paul, Subrata; Ishida, Hiroaki; Nguyen, Leonard; Liu, Zhihong; Vogel, Hans. "Structural and dynamic characterization of a freestanding acyl carrier protein involved in the biosynthesis of cyclic lipopeptide antibiotics" Protein Sci. 26, 946-959 (2017).

Assembly members:
entity, polymer, 90 residues, 9504.713 Da.

Natural source: Common Name: high GC gram+ Taxonomy ID: 196914 Superkingdom: Bacteria Kingdom: not available Genus/species: Actinoplanes friuliensis

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

Entity Sequences (FASTA):
entity: GHMSDLSTAPTLDSLRVWLV DCVAGHLGLDAATIATDLPL TSYGLDSVYALSIAAELEDH LDVSLDPTLIWDHPTIDALS TALVAELRSA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	375
15N chemical shifts	85
1H chemical shifts	599

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Samples:

sample_1: entity, [U-15N], 0.5 mM; D2O, [U-2H], 10%; H2O 90%; sodium azide 0.03%; potassium chloride 100 mM; DTT 10 mM; DSS 0.5 mM; potassium phosphate 50 mM

sample_2: entity, [U-13C; U-15N], 0.5 mM; potassium chloride 100 mM; DTT 10 mM; sodium azide 0.03%; D2O, [U-2H], 10%; H2O 90%; DSS 0.5 mM; potassium phosphate 50 mM

sample_3: entity, [U-13C; U-15N], 0.5 mM; potassium phosphate 50 mM; potassium chloride 100 mM; DTT 10 mM; sodium azide 0.03%; DSS 0.5 mM; D2O, [U-2H], 100%

sample_4: entity 1 mM; potassium phosphate 50 mM; potassium chloride 100 mM; sodium azide 0.03%; DTT 10 mM; DSS 0.5 mM; D2O, [U-2H], 100%

sample_5: entity, [U-15N], 0.5 mM; D2O, [U-2H], 10%; H2O 90%; potassium chloride 130 mM; potassium phosphate 50 mM; DTT 10 mM; DSS 0.5 mM; PMSF 0.03%; Pf1 phage 15 mg/mL

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 297 K

sample_conditions_2: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 297 K

sample_conditions_3: ionic strength: 100 mM; pH: 6.4; pressure: 1 atm; temperature: 297 K

sample_conditions_4: ionic strength: 100 mM; pH: 6.4; pressure: 1 atm; temperature: 297 K

sample_conditions_5: ionic strength: 130 mM; pH*: 6.0; pressure: 1 atm; temperature: 297 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_2
3D HN(CA)CO	sample_2	isotropic	sample_conditions_2
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_2
3D H(CCO)NH	sample_2	isotropic	sample_conditions_2
3D C(CO)NH	sample_2	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_3	isotropic	sample_conditions_3
2D 1H-1H TOCSY	sample_4	isotropic	sample_conditions_4
2D DQF-COSY	sample_4	isotropic	sample_conditions_4
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_4
IPAP-1H-15N-HSQC	sample_5	anisotropic	sample_conditions_5
2D 1H-13C HSQC aromatic	sample_3	isotropic	sample_conditions_3
IPAP-1H-15N-HSQC	sample_1	isotropic	sample_conditions_1

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	GLY	HIS	MET	SER	ASP	LEU	SER	THR	ALA	PRO
2	THR	LEU	ASP	SER	LEU	ARG	VAL	TRP	LEU	VAL
3	ASP	CYS	VAL	ALA	GLY	HIS	LEU	GLY	LEU	ASP
4	ALA	ALA	THR	ILE	ALA	THR	ASP	LEU	PRO	LEU
5	THR	SER	TYR	GLY	LEU	ASP	SER	VAL	TYR	ALA
6	LEU	SER	ILE	ALA	ALA	GLU	LEU	GLU	ASP	HIS
7	LEU	ASP	VAL	SER	LEU	ASP	PRO	THR	LEU	ILE
8	TRP	ASP	HIS	PRO	THR	ILE	ASP	ALA	LEU	SER
9	THR	ALA	LEU	VAL	ALA	GLU	LEU	ARG	SER	ALA

Biological Magnetic Resonance Data Bank

BMRB Entry 25886

Title: Solution structure of acyl carrier protein LipD from Actinoplanes friuliensis PubMed: 28187530

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	HIS	MET	SER	ASP	LEU	SER	THR	ALA	PRO
2	THR	LEU	ASP	SER	LEU	ARG	VAL	TRP	LEU	VAL
3	ASP	CYS	VAL	ALA	GLY	HIS	LEU	GLY	LEU	ASP
4	ALA	ALA	THR	ILE	ALA	THR	ASP	LEU	PRO	LEU
5	THR	SER	TYR	GLY	LEU	ASP	SER	VAL	TYR	ALA
6	LEU	SER	ILE	ALA	ALA	GLU	LEU	GLU	ASP	HIS
7	LEU	ASP	VAL	SER	LEU	ASP	PRO	THR	LEU	ILE
8	TRP	ASP	HIS	PRO	THR	ILE	ASP	ALA	LEU	SER
9	THR	ALA	LEU	VAL	ALA	GLU	LEU	ARG	SER	ALA

1	GLY	HIS	MET	SER	ASP	LEU	SER	THR	ALA	PRO
2	THR	LEU	ASP	SER	LEU	ARG	VAL	TRP	LEU	VAL
3	ASP	CYS	VAL	ALA	GLY	HIS	LEU	GLY	LEU	ASP
4	ALA	ALA	THR	ILE	ALA	THR	ASP	LEU	PRO	LEU
5	THR	SER	TYR	GLY	LEU	ASP	SER	VAL	TYR	ALA
6	LEU	SER	ILE	ALA	ALA	GLU	LEU	GLU	ASP	HIS
7	LEU	ASP	VAL	SER	LEU	ASP	PRO	THR	LEU	ILE
8	TRP	ASP	HIS	PRO	THR	ILE	ASP	ALA	LEU	SER
9	THR	ALA	LEU	VAL	ALA	GLU	LEU	ARG	SER	ALA

1	GLY	HIS	MET	SER	ASP	LEU	SER	THR	ALA	PRO
2	THR	LEU	ASP	SER	LEU	ARG	VAL	TRP	LEU	VAL
3	ASP	CYS	VAL	ALA	GLY	HIS	LEU	GLY	LEU	ASP
4	ALA	ALA	THR	ILE	ALA	THR	ASP	LEU	PRO	LEU
5	THR	SER	TYR	GLY	LEU	ASP	SER	VAL	TYR	ALA
6	LEU	SER	ILE	ALA	ALA	GLU	LEU	GLU	ASP	HIS
7	LEU	ASP	VAL	SER	LEU	ASP	PRO	THR	LEU	ILE
8	TRP	ASP	HIS	PRO	THR	ILE	ASP	ALA	LEU	SER
9	THR	ALA	LEU	VAL	ALA	GLU	LEU	ARG	SER	ALA