BMRB Entry 50744

Name: Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-p450-reductase enables high-resolution NMR probing
Published: 2021-05-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50744

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2021-02-01

Original release date:

2021-05-18

Authors:

Krishnarjuna, Bankala; Ramamoorthy, Ayyalusamy

Citation:

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).
PubMed: 33982687

Assembly members:

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

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	385
15N chemical shifts	191
1H chemical shifts	191

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Protein-lipid-nanodisc	1

Entities:

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

1

MET

GLY

ASP

SER

HIS

GLU

ASP

THR

SER

ALA

2

THR

MET

PRO

GLU

ALA

VAL

ALA

GLU

VAL

3

SER

LEU

PHE

SER

THR

ASP

MET

VAL

LEU

4

PHE

SER

LEU

ILE

VAL

GLY

VAL

LEU

THR

TYR

5

TRP

PHE

ILE

PHE

ARG

LYS

GLU

6

ILE

PRO

GLU

PHE

SER

LYS

ILE

GLN

THR

7

ALA

PRO

VAL

LYS

GLU

SER

PHE

VAL

8

GLU

LYS

MET

LYS

THR

GLY

ARG

ASN

ILE

9

ILE

VAL

PHE

TYR

GLY

SER

GLN

THR

GLY

THR

10

ALA

GLU

PHE

ALA

ASN

ARG

LEU

SER

LYS

11

ASP

ALA

HIS

ARG

TYR

GLY

MET

ARG

GLY

MET

12

SER

ALA

ASP

PRO

GLU

TYR

ASP

LEU

ALA

13

ASP

LEU

SER

LEU

PRO

GLU

ILE

ASP

LYS

14

SER

LEU

VAL

PHE

CYS

MET

ALA

THR

TYR

15

GLY

GLU

GLY

ASP

PRO

THR

ASP

ASN

ALA

GLN

16

ASP

PHE

TYR

ASP

TRP

LEU

GLN

GLU

THR

ASP

17

VAL

ASP

LEU

THR

GLY

VAL

LYS

PHE

ALA

VAL

18

PHE

GLY

LEU

GLY

ASN

LYS

THR

TYR

GLU

HIS

19

PHE

ASN

ALA

MET

GLY

LYS

TYR

VAL

ASP

GLN

20

ARG

LEU

GLU

GLN

LEU

GLY

ALA

GLN

ARG

ILE

21

PHE

GLU

LEU

GLY

LEU

GLY

ASP

GLY

22

ASN

LEU

GLU

ASP

PHE

ILE

THR

TRP

ARG

23

GLU

GLN

PHE

TRP

PRO

ALA

VAL

CYS

GLU

PHE

24

PHE

GLY

VAL

GLU

ALA

THR

GLY

GLU

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:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks