BMRB Entry 19174

Name: Structure of the Regulatory Domain of Human Brain Carnitine Palmitoyltransferase 1
Published: 2013-09-10

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PDB ID: 2m76
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19174
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure of the Regulatory Domain of Human Brain Carnitine Palmitoyltransferase 1 PubMed: 24037959

Deposition date: 2013-04-18 Original release date: 2013-09-10

Authors: Samanta, Soma; Situ, Alan; Ulmer, Tobias

Citation: Samanta, Soma; Situ, Alan; Ulmer, Tobias. "Structural characterization of the regulatory domain of brain carnitine palmitoyltransferase 1." Biopolymers 101, 398-405 (2014).

Assembly members:
Palmitoyltransferase_1, polymer, 50 residues, 5711.461 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
Palmitoyltransferase_1: MAEAHQAVGFRPSLTSDGAE VELSAPVLQEIYLSGLRSWK RHLSRFWNDF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	91
15N chemical shifts	47
1H chemical shifts	47

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Palmitoyltransferase_1	1

Entities:

Entity 1, Palmitoyltransferase_1 50 residues - 5711.461 Da.

1	MET	ALA	GLU	ALA	HIS	GLN	ALA	VAL	GLY	PHE
2	ARG	PRO	SER	LEU	THR	SER	ASP	GLY	ALA	GLU
3	VAL	GLU	LEU	SER	ALA	PRO	VAL	LEU	GLN	GLU
4	ILE	TYR	LEU	SER	GLY	LEU	ARG	SER	TRP	LYS
5	ARG	HIS	LEU	SER	ARG	PHE	TRP	ASN	ASP	PHE

Samples:

sample_1: Palmitoyltransferase_1, [U-100% 13C; U-100% 15N; U-80% 2H], 0.5 mM; dodecyltrimethylammonium chloride 150 mM; MES 25 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.175 M; pH: 5.6; pressure: 1 atm; temperature: 308.2 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
Quant J correlation	sample_1	isotropic	sample_conditions_1
Quant J correlation	sample_1	anisotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Bruker Avance 700 MHz

PDB	2M76
DBJ	BAF82402 BAF82781
EMBL	CAH90871
GB	AAH29104 AAL99615 AAQ14875 ABM82478 ABM85665
REF	NP_001125498 NP_001129524 NP_001186681 NP_001186682 NP_689572
SP	Q8TCG5

Biological Magnetic Resonance Data Bank