BMRB Entry 17886

Name: Backbone chemical shift assignments of holo-acyl carrier protein of Leishmania major
Published: 2012-02-01

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PDB ID: 2m5r
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17886
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone chemical shift assignments of holo-acyl carrier protein of Leishmania major PubMed: 22278299

Deposition date: 2011-08-27 Original release date: 2012-02-01

Authors: Kumar, Ambrish; Surolia, Avadhesha; Sundd, Monica

Citation: Kumar, Ambrish; Surolia, Avadhesha; Sundd, Monica. "Backbone and side chain 1H, 15N & 13C chemical shift assignments of the holo-acyl carrier protein (ACP) of Leishmania major" Biomol. NMR Assignments 6, 221-223 (2012).

Assembly members:
acyl_carrier_protein_polypetide, polymer, 80 residues, 8996.2 Da.
PNS, non-polymer, 358.348 Da.

Natural source: Common Name: Leishmania major Taxonomy ID: 347515 Superkingdom: Eukaryota Kingdom: not available Genus/species: Leishmania major

Experimental source: Production method: recombinant technology Host organism: Leishmania major

Entity Sequences (FASTA):
acyl_carrier_protein_polypetide: MNDVLTRVLEVVKNFEKVDA SKVTPESHFVKDLGLNSLDV VEVVFAIEQEFILDIPDHDA EKIQSIPDAVEYIAQNPMAK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	333
15N chemical shifts	83
1H chemical shifts	519

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	holo acyl carrier protein	1
2	4'-PHOSPHOPANTETHEINE	2

Entities:

Entity 1, holo acyl carrier protein 80 residues - 8996.2 Da.

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

Entity 2, 4'-PHOSPHOPANTETHEINE - C11 H23 N2 O7 P S - 358.348 Da.

1

PNS

Samples:

sample_1: acyl_carrier_protein_polypetide 2 mM; 4'-PHOSPHOPANTETHEINE 2 mM; sodium phosphate, [U-99% 13C; U-99% 15N], 1 – 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

UNP	E9AD06
PDB	2M5R
EMBL	CAM45307 CAM69012 CBZ12089 CBZ35190 CCW61043
GB	AIN99409 EPY25189 KPI86796
REF	XP_001466301 XP_001565791 XP_003721835 XP_003861887 XP_010700116

Biological Magnetic Resonance Data Bank