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 50744

Title: Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-p450-reductase enables high-resolution NMR probing   PubMed: 33982687

Deposition date: 2021-02-01 Original release date: 2021-05-18

Authors: Krishnarjuna, Bankala; Ramamoorthy, Ayyalusamy

Citation: Krishnarjuna, Bankala; Ramamoorthy, Ayyalusamy. "Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-P450-reductase enables high-resolution NMR probing"  Chem. Commun. (Camb) 57, 4819-4822 (2021).

Assembly members:
entity_1, polymer, 239 residues, Formula weight is not available

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

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

Entity Sequences (FASTA):
entity_1: MGDSHEDTSATMPEAVAEEV SLFSTTDMVLFSLIVGVLTY WFIFRKKKEEIPEFSKIQTT APPVKESSFVEKMKKTGRNI IVFYGSQTGTAEEFANRLSK DAHRYGMRGMSADPEEYDLA DLSSLPEIDKSLVVFCMATY GEGDPTDNAQDFYDWLQETD VDLTGVKFAVFGLGNKTYEH FNAMGKYVDQRLEQLGAQRI FELGLGDDDGNLEEDFITWR EQFWPAVCEFFGVEATGEE

Data sets:
Data typeCount
13C chemical shifts385
15N chemical shifts191
1H chemical shifts191

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Protein-lipid-nanodisc1

Entities:

Entity 1, Protein-lipid-nanodisc 239 residues - Formula weight is not available

1   METGLYASPSERHISGLUASPTHRSERALA
2   THRMETPROGLUALAVALALAGLUGLUVAL
3   SERLEUPHESERTHRTHRASPMETVALLEU
4   PHESERLEUILEVALGLYVALLEUTHRTYR
5   TRPPHEILEPHEARGLYSLYSLYSGLUGLU
6   ILEPROGLUPHESERLYSILEGLNTHRTHR
7   ALAPROPROVALLYSGLUSERSERPHEVAL
8   GLULYSMETLYSLYSTHRGLYARGASNILE
9   ILEVALPHETYRGLYSERGLNTHRGLYTHR
10   ALAGLUGLUPHEALAASNARGLEUSERLYS
11   ASPALAHISARGTYRGLYMETARGGLYMET
12   SERALAASPPROGLUGLUTYRASPLEUALA
13   ASPLEUSERSERLEUPROGLUILEASPLYS
14   SERLEUVALVALPHECYSMETALATHRTYR
15   GLYGLUGLYASPPROTHRASPASNALAGLN
16   ASPPHETYRASPTRPLEUGLNGLUTHRASP
17   VALASPLEUTHRGLYVALLYSPHEALAVAL
18   PHEGLYLEUGLYASNLYSTHRTYRGLUHIS
19   PHEASNALAMETGLYLYSTYRVALASPGLN
20   ARGLEUGLUGLNLEUGLYALAGLNARGILE
21   PHEGLULEUGLYLEUGLYASPASPASPGLY
22   ASNLEUGLUGLUASPPHEILETHRTRPARG
23   GLUGLNPHETRPPROALAVALCYSGLUPHE
24   PHEGLYVALGLUALATHRGLYGLUGLU

Samples:

sample_1: rat full-length FBD, [U-13C; U-15N], 0.3 mM

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.0.6 - collection, processing

CcpNMR v2.4.2 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III 900 MHz

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