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BMRB: 16662

2KSH

Solution NMR structure of apo Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2)

Authors

Singarapu, K., Radek, J.T., Tonelli, M., Lan, Q., Markley, J.L.

Assembly

AeSCP-2

Entity

1. AeSCP-2 (polymer, Thiol state: not present), 110 monomers, 12272.10 Da Detail

MSLKSDEVFA KIAKRLESID PANRQVEHVY KFRITQGGKV VKNWVMDLKN VKLVESDDAA EATLTMEDDI MFAIGTGALP AKEAMAQDKM EVDGQVELIF LLEPFIASLK

Formula weight

12272.1 Da

Source organism

Aedes aegypti

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 89.4 %, Completeness (bb): 84.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.4 % (1156 of 1293)	97.8 % (656 of 671)	76.3 % (387 of 507)	98.3 % (113 of 115)
Backbone	84.1 % (550 of 654)	99.1 % (220 of 222)	69.2 % (225 of 325)	98.1 % (105 of 107)
Sidechain	95.4 % (710 of 744)	97.1 % (436 of 449)	92.7 % (266 of 287)	100.0 % (8 of 8)
Aromatic	81.1 % (60 of 74)	100.0 % (37 of 37)	61.1 % (22 of 36)	100.0 % (1 of 1)
Methyl	100.0 % (140 of 140)	100.0 % (70 of 70)	100.0 % (70 of 70)

1. AeSCP-2

MSLKSDEVFA KIAKRLESID PANRQVEHVY KFRITQGGKV VKNWVMDLKN VKLVESDDAA EATLTMEDDI MFAIGTGALP AKEAMAQDKM EVDGQVELIF LLEPFIASLK

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Concentration
1	AeSCP-2	[U-100% 13C; U-100% 15N]	2 mM
2	H2O	natural abundance	93 %
3	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Concentration
4	AeSCP-2	[U-100% 15N]	1 mM
5	H2O	natural abundance	93 %
6	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Concentration
7	AeSCP-2	[U-100% 15N]	1 mM
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

RDC

87 RDC values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.8 Detail

Release date

2010-05-04

Citation

Differences in the structure and dynamics of the apo- and palmitate-ligated forms of Aedes aegypti sterol carrier protein 2 (AeSCP-2)
Singarapu, K.K., Radek, J.T., Tonelli, M., Markley, J.L., Lan, Q.
J. Biol. Chem. (2010), 285, 17046-17053, PubMed 20356842 , DOI 10.1074/jbc.M110.101154 , Abstract

Related entities 1. AeSCP-2, : 15 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC