BMRB Entry 16665

Name: Solution NMR structure of Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2) complex with C16 fatty acid (palmitate)
Published: 2010-05-05

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PDB ID: 2ksi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16665
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2) complex with C16 fatty acid (palmitate)

Deposition date:

2010-01-04

Original release date:

2010-05-05

Authors:

Singarapu, Kiran Kumar; Radek, James; Tonelli, Marco; Lan, Que; Markley, John

Citation:

Citation: Singarapu, Kiran; Radek, James; Tonelli, Marco; Markley, John; Lan, Que. "Differences in the Structure and Dynamics of the Apo- and Palmitate-ligated Forms of Aedes aegypti Sterol Carrier Protein 2 (AeSCP-2)." J. Biol. Chem. 285, 17046-17053 (2010).
PubMed: 20356842

Assembly members:

Assembly members:
AeSCP-2-PA, polymer, 110 residues, 12287.329 Da.
PALMITIC ACID, non-polymer, 256.424 Da.

Natural source:

Natural source: Common Name: yellow fever mosquito Taxonomy ID: 7159 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aedes aegypti

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-4T-2 tag

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AeSCP-2-PA: MSLKSDEVFAKIAKRLESID PANRQVEHVYKFRITQGGKV VKNWVMDLKNVKLVESDDAA EATLTMEDDIMFAIGTGALP AKEAMAQDKMEVDGQVELIF LLEPFIASLK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
RDCs
- RDC_list_1

Data type	Count
13C chemical shifts	376
15N chemical shifts	112
1H chemical shifts	818
residual dipolar couplings	92

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	PALMITIC ACID	2

Entities:

Entity 1, entity_1 110 residues - 12287.329 Da.

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

Entity 2, PALMITIC ACID - C16 H32 O2 - 256.424 Da.

1

PLM

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
15N,13C filtered 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_3	isotropic	sample_conditions_1

BMRB	16662
PDB	1PZ4 2KSH 2KSI
GB	AAN16385 AAN16392 AAO34708 AAO43438 AAQ08007

BMRB Entry 16665

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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