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BMRB: 6516

2FQ2

NMR assignment of the holo-acyl carrier protein (PfACP) from malaria parasite Plasmodium falciparum

Authors

Sharma, A.KUMAR., Sharma, S.KUMAR., Surolia, N., Sarma, S.P.

Assembly

holo-acyl carrier protein

Entity

1. holo-acyl carrier protein from Plasmodium falciparum (polymer, Thiol state: all free), 79 monomers, 9006.087 × 2 Da Detail

LKSTFDDIKK IISKQLSVEE DKIQMNSNFT KDLGADSLDL VELIMALEEK FNVTISDQDA LKINTVQDAI DYIEKNNKQ

2. PNS (non-polymer), 358.348 × 2 Da

Total weight

18728.87 Da

Max. entity weight

9006.087 Da

Source organism

Plasmodium falciparum

Exptl. method

Refine. method

TORSION ANGLE DYNAMICS, SIMULATED ANNEALING

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.6 %, Completeness (bb): 99.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.6 % (925 of 948)	99.6 % (493 of 495)	94.2 % (342 of 363)	100.0 % (90 of 90)
Backbone	99.6 % (472 of 474)	100.0 % (159 of 159)	99.2 % (234 of 236)	100.0 % (79 of 79)
Sidechain	96.2 % (531 of 552)	99.4 % (334 of 336)	90.7 % (186 of 205)	100.0 % (11 of 11)
Aromatic	44.7 % (17 of 38)	89.5 % (17 of 19)	0.0 % (0 of 19)
Methyl	100.0 % (100 of 100)	100.0 % (50 of 50)	100.0 % (50 of 50)

1. holo-acyl carrier protein from Plasmodium falciparum

LKSTFDDIKK IISKQLSVEE DKIQMNSNFT KDLGADSLDL VELIMALEEK FNVTISDQDA LKINTVQDAI DYIEKNNKQ

Show sample condition

Sample

Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2FQ2, Strand ID: A Detail

Release date

2005-08-31

Citation 1

NMR assignment of the Holo-ACP from malaria parasite Plasmodium Falciparum
Sharma, A.KUMAR., Sharma, S.KUMAR., Surolia, N., Sarma, S.P.
J. Biomol. NMR (2005), 32, 260-260, PubMed 16132833 , DOI 10.1007/s10858-005-7059-0 , Abstract

Show more 2 citaions

Citation 2

Solution Structure and Backbone Dynamics of the Holo Form of the Frenolicin Acyl Carrier Protein
Li, Q., Khosla, C., Puglisi, J.D., Liu, C.W.
Biochemistry (2003), 42, 4648-4657, PubMed , DOI:

Citation 3

Heteronuclear multidimensional NMR experiments for the structure determination of proteins in solution employing pulsed field gradients
Sattler, M., Schleucher, J., Griesinger, C.
Prog. Nucl. Magn. Reson. Spectrosc. (1999), 34, 93-158, PubMed , DOI:

Hide non-primary 2 citaions

Related entities 1. holo-acyl carrier protein from Plasmodium falciparum, : 1 : 4 : 222 entities Detail

Experiments performed 10 experiments Detail

1 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

2 1H-15N TOCSY-HSQC

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

3 HNCACB

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

4 CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

5 H(CCO)NH

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

6 C(CCO)HN

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

7 HCCH_TOCSY

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

8 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

9 1H-15N 3D NOESY

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

10 1H-13C 3D NOESY

Instrument

Bruker Avance - 700 MHz Bruker Avance 700 MHz at Biomolecular NMR Facility, IISC.,Bangalore-12,India

Sample

State isotropic, Temperature 300 (±2.0) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	holo-acyl carrier protein from Plasmodium falciparum	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM
2	4'-phosphopantetheine prosthetic group	[U-98% 13C; U-98% 15N]		1.2 (±0.2) mM

nullKeywords NMR assignments, PfACP, phosphopantetheine moiety, triple resonance experiments