BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30550

Title: Structure of Aedes aegypti OBP22 in the complex with arachidonic acid

Deposition date: 2018-12-07 Original release date: 2018-12-14

Authors: Jones, D.; Wang, J.

Citation: Jones, D.; Wang, J.. "Structure of Aedes aegypti OBP22 in the complex with arachidonic acid"  . ., .-..

Assembly members:
entity_1, polymer, 123 residues, 14400.319 Da.
entity_ACD, non-polymer, 304.467 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: ESCHERICHIA COLI BL21(DE3)

Entity Sequences (FASTA):
entity_1: MEFTVSTTEDLQRYRTECVS SLNIPADYVEKFKKWEFPED DTTMCYIKCVFNKMQLFDDT EGPLVDNLVHQLAHGRDAEE VRTEVLKCVDKNTDNNACHW AFRGFKCFQKNNLSLIKASI KKD

Data typeCount
13C chemical shifts537
15N chemical shifts137
1H chemical shifts885

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 123 residues - 14400.319 Da.

1   METGLUPHETHRVALSERTHRTHRGLUASP
2   LEUGLNARGTYRARGTHRGLUCYSVALSER
3   SERLEUASNILEPROALAASPTYRVALGLU
4   LYSPHELYSLYSTRPGLUPHEPROGLUASP
5   ASPTHRTHRMETCYSTYRILELYSCYSVAL
6   PHEASNLYSMETGLNLEUPHEASPASPTHR
7   GLUGLYPROLEUVALASPASNLEUVALHIS
8   GLNLEUALAHISGLYARGASPALAGLUGLU
9   VALARGTHRGLUVALLEULYSCYSVALASP
10   LYSASNTHRASPASNASNALACYSHISTRP
11   ALAPHEARGGLYPHELYSCYSPHEGLNLYS
12   ASNASNLEUSERLEUILELYSALASERILE
13   LYSLYSASP

Entity 2, entity_2 - C20 H32 O2 - 304.467 Da.

1   ACD

Samples:

sample_1: OBP22, [U-13C; U-15N], 650 ± 15 uM; ARACHIDONIC ACID 650 ± 30 uM; sodium phosphate 20 ± 0.2 mM

sample_2: ARACHIDONIC ACID 670 ± 30 uM; sodium phosphate 20 ± 0.2 mM; Aedes aegypti odorant binding protein 22, [U-95% 13C; U-98% 15N], 670 ± 15 uM

sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 820 mbar; temperature: 298 K

sample_conditions_2: ionic strength: 20 mM; pH: 6.1 pD; pressure: 820 mbar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 13C/15N- NOESY-HSQCsample_1isotropicsample_conditions_1
3D (HACA)CO(CA)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D 12C-filtered-1H-1H-NOESYsample_2isotropicsample_conditions_2
3D 12C-filtered-13C/15N-editedNOESY-HSQCsample_2isotropicsample_conditions_2
3D 13C/15N-NOESY-HSQC (AROMATIC)sample_1isotropicsample_conditions_1
3D HAHBsample_2isotropicsample_conditions_2
2D 12C-filterd-1H-1H-TOCSYsample_2isotropicsample_conditions_2
2D (HB)CB(CGCDCE)HEsample_2isotropicsample_conditions_2
2D (HB)CB(CGCD)HDsample_2isotropicsample_conditions_2
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_2

Software:

Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMR spectrometers:

  • Varian DD2 900 MHz
  • Varian INOVA 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts