BMRB Entry 25984

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25984
MolProbity Validation Chart

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Title:
Solution NMR structure of palmitated SCP2L2 from Aedes aegypti
Deposition date:
2016-03-07
Original release date:
2017-03-02
Authors:
Singarapu, Kiran; Ummanni, Ramesh
Citation:

Citation: Singarapu, Kiran; Ahuja, Ashish; Potula, Purushotam; Ummanni, Ramesh. "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"  Biochemistry 55, 4919-4927 (2016).
PubMed: 27508310

Assembly members:

Assembly members:
entity_1, polymer, 111 residues, 11940.874 Da.
PALMITOLEIC ACID, non-polymer, 254.408 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pEt29b+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSVETIIERIKARVGAVDPN GPRKVLGVFQLNIKTASGVE QWIVDLKQLKVDQGVFASPD VTVTVGLEDMLAISGKTLTV GDALKQGKIELSGDADLAAK LAEVIHHHHHH

Data sets:
Data typeCount
13C chemical shifts354
15N chemical shifts110
1H chemical shifts799

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2PALMITOLEIC ACID_12
3PALMITOLEIC ACID_22

Entities:

Entity 1, entity_1 111 residues - 11940.874 Da.

1   METSERVALGLUTHRILEILEGLUARGILE
2   LYSALAARGVALGLYALAVALASPPROASN
3   GLYPROARGLYSVALLEUGLYVALPHEGLN
4   LEUASNILELYSTHRALASERGLYVALGLU
5   GLNTRPILEVALASPLEULYSGLNLEULYS
6   VALASPGLNGLYVALPHEALASERPROASP
7   VALTHRVALTHRVALGLYLEUGLUASPMET
8   LEUALAILESERGLYLYSTHRLEUTHRVAL
9   GLYASPALALEULYSGLNGLYLYSILEGLU
10   LEUSERGLYASPALAASPLEUALAALALYS
11   LEUALAGLUVALILEHISHISHISHISHIS
12   HIS

Entity 2, PALMITOLEIC ACID_1 - C16 H30 O2 - 254.408 Da.

1   PAM

Samples:

sample_1: entity_1, [U-100% 15N], 1.0 mM; PALMITOLEIC ACID 2.0 mM; H2O 93%; D2O, [U-2H], 7%

sample_2: entity_1, [U-100% 13C; U-100% 15N], 1.0 mM; PALMITOLEIC ACID 2.0 mM; H2O 93%; D2O, [U-2H], 7%

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

Molmol, Koradi, Billeter and Wuthrich - geometry optimization

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

ProcheckNMR, Laskowski and MacArthur - geometry optimization

SPARKY, Goddard - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks