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BMRB: 25983

2NBM

Solution NMR structure of ligand free sterol carrier protein 2 like 2 from Aedes aegypti

Authors

Singarapu, K.K., Ummanni, R.

Assembly

SCP2L2

Entity

1. SCP2L2 (polymer, Thiol state: not present), 111 monomers, 11922.61 Da Detail

MSVETIIERI KARVGAVDPN GPRKVLGVFQ LNIKTASGVE QWIVDLKQLK VDQGVFASPD VTVTVGLEDM LAISGKTLTV GDALKQGKIE LSGDADLAAK LAEVIHHHHH H

Formula weight

11922.61 Da

Source organism

Aedes aegypti

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.5 %, Completeness: 85.9 %, Completeness (bb): 82.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.9 % (1077 of 1254)	91.9 % (591 of 643)	75.8 % (375 of 495)	95.7 % (111 of 116)
Backbone	82.0 % (541 of 660)	95.6 % (219 of 229)	67.8 % (219 of 323)	95.4 % (103 of 108)
Sidechain	90.9 % (632 of 695)	89.9 % (372 of 414)	92.3 % (252 of 273)	100.0 % (8 of 8)
Aromatic	58.9 % (33 of 56)	67.9 % (19 of 28)	48.1 % (13 of 27)	100.0 % (1 of 1)
Methyl	100.0 % (164 of 164)	100.0 % (82 of 82)	100.0 % (82 of 82)

1. entity

MSVETIIERI KARVGAVDPN GPRKVLGVFQ LNIKTASGVE QWIVDLKQLK VDQGVFASPD VTVTVGLEDM LAISGKTLTV GDALKQGKIE LSGDADLAAK LAEVIHHHHH H

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-100% 15N]	protein	0.7 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-100% 13C; U-100% 15N]	protein	0.7 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

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: 0.4 ppm, Outliers: 1 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: 0.4 ppm, Outliers: 1 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: -0.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2016-03-16

Citation

Solution Nuclear Magnetic Resonance Studies of Sterol Carrier Protein 2 Like 2 (SCP2L2) Reveal the Insecticide Specific Structural Characteristics of SCP2 Proteins in Aedes aegypti Mosquitoes
Singarapu, K.K., Ahuja, A., Potula, P.R., Ummanni, R.
Biochemistry (2016), 55, 4919-4927, PubMed 27508310 , DOI 10.1021/acs.biochem.6b00322 , Abstract

Related entities 1. SCP2L2, : 1 : 1 : 2 : 25 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC