BMRB Entry 27673

Name: backbone chemical shift assignments of full length rat adrenodoxin
Published: 2018-11-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27673

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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:

backbone chemical shift assignments of full length rat adrenodoxin

Deposition date:

2018-10-31

Original release date:

2018-11-20

Authors:

Kumar, Amit; Estrada, D. Fernando

Citation:

Citation: Kumar, Amit; Estrada, D. Fernando. "Substrate modulates CYP-Adx interactions in mitochondria" JMB ., .-..

Assembly members:

Assembly members:
rat_Adx, polymer, 132 residues, Formula weight is not available
entity_FES, non-polymer, 175.820 Da.

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: pET-15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
rat_Adx: MGSSSEDKVTVHFKNRDGET LTTKGKVGDSLLDVVIENNL DIDGFGACEGTLACSTCHLI FEDHIYEKLDAITDEENDML DLAFGLTNRSRLGCQVCLTK AMDNMTVRVPEAVADVRQSV DMSKNSHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	85
15N chemical shifts	88
1H chemical shifts	88

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rat adx protein	1
2	iron sulfur cofactor	2

Entities:

Entity 1, rat adx protein 132 residues - Formula weight is not available

1

MET

GLY

SER

GLU

ASP

LYS

VAL

THR

2

VAL

HIS

PHE

LYS

ASN

ARG

ASP

GLY

GLU

THR

3

LEU

THR

LYS

GLY

LYS

VAL

GLY

ASP

SER

4

LEU

ASP

VAL

ILE

GLU

ASN

LEU

5

ASP

ILE

ASP

GLY

PHE

GLY

ALA

CYS

GLU

GLY

6

THR

LEU

ALA

CYS

SER

THR

CYS

HIS

LEU

ILE

7

PHE

GLU

ASP

HIS

ILE

TYR

GLU

LYS

LEU

ASP

8

ALA

ILE

THR

ASP

GLU

ASN

ASP

MET

LEU

9

ASP

LEU

ALA

PHE

GLY

LEU

THR

ASN

ARG

SER

10

ARG

LEU

GLY

CYS

GLN

VAL

CYS

LEU

THR

LYS

11

ALA

MET

ASP

ASN

MET

THR

VAL

ARG

VAL

PRO

12

GLU

ALA

VAL

ALA

ASP

VAL

ARG

GLN

SER

VAL

13

ASP

MET

SER

LYS

ASN

SER

HIS

14

HIS

Entity 2, iron sulfur cofactor - Fe2 S2 - 175.820 Da.

1

FES

Samples:

15N-13C_rAdx: potassium phosphate 50 mM; sodium chloride 50 mM; adrenodoxin, [U-13C; U-15N], 2.6 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N-13C_rAdx	isotropic	sample_conditions_1
3D HNCA	15N-13C_rAdx	isotropic	sample_conditions_1
3D HNCACB	15N-13C_rAdx	isotropic	sample_conditions_1
3D HN(CO)CA	15N-13C_rAdx	isotropic	sample_conditions_1

Software:

NMRPipe v2016.273.11.31, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR, Varian - collection

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

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