BMRB Entry 26973

Name: Near-complete backbone resonance assignments of acid-denatured human cytochrome c in DMSO: a prelude to studying interactions with phospholipids
Published: 2017-03-28

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26973

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Near-complete backbone resonance assignments of acid-denatured human cytochrome c in DMSO: a prelude to studying interactions with phospholipids

Deposition date:

2016-12-15

Original release date:

2017-03-28

Authors:

Karsisiotis, Andreas Ioannis; Deacon, Oliver; Worrall, Jonathan

Citation:

Citation: Karsisiotis, Andreas Ioannis; Deacon, Oliver; Macdonald, Colin; Blumenschein, Tharin; Moore, Geoffrey; Worrall, Jonathan. "Near-complete backbone resonance assignments of acid-denatured human cytochrome c in dimethylsulfoxide: a prelude to studying interactions with phospholipids" Biomol. NMR Assign. 11, 165-168 (2017).
PubMed: 28260216

Assembly members:

Assembly members:
HCC, polymer, 104 residues, Formula weight is not available
entity_HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: puc19Amp

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HCC: GDVEKGKKIFIMKCSQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGYSYTAANKNKGIIWG EDTLMEYLENPKKYIPGTKM IFVGIKKKEERADLIAYLKK ATNE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	269
15N chemical shifts	87
1H chemical shifts	87

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Human Cyt c	1
2	Heme	2

Entities:

Entity 1, Human Cyt c 104 residues - Formula weight is not available

1

GLY

ASP

VAL

GLU

LYS

GLY

LYS

ILE

PHE

2

ILE

MET

LYS

CYS

SER

GLN

CYS

HIS

THR

VAL

3

GLU

LYS

GLY

LYS

HIS

LYS

THR

GLY

PRO

4

ASN

LEU

HIS

GLY

LEU

PHE

GLY

ARG

LYS

THR

5

GLY

GLN

ALA

PRO

GLY

TYR

SER

TYR

THR

ALA

6

ALA

ASN

LYS

ASN

LYS

GLY

ILE

TRP

GLY

7

GLU

ASP

THR

LEU

MET

GLU

TYR

LEU

GLU

ASN

8

PRO

LYS

TYR

ILE

PRO

GLY

THR

LYS

MET

9

ILE

PHE

VAL

GLY

ILE

LYS

GLU

10

ARG

ALA

ASP

LEU

ILE

ALA

TYR

LEU

LYS

11

ALA

THR

ASN

GLU

Entity 2, Heme - C34 H34 Fe N4 O4 - 618.503 Da.

1

HEC

Samples:

DMSO_Sample_1: HCC, [U-99% 15N], 1 mM; DMSO 100 % v/v; TFA 0.2 % v/v; sodium phosphate 20 mM

DMSO_conditions_1: ionic strength: 20 mM; pH: 2.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	DMSO_Sample_1	isotropic	DMSO_conditions_1
3D HNCACB	DMSO_Sample_1	isotropic	DMSO_conditions_1
3D CBCA(CO)NH	DMSO_Sample_1	isotropic	DMSO_conditions_1
3D HNCO	DMSO_Sample_1	isotropic	DMSO_conditions_1
3D HN(CA)CO	DMSO_Sample_1	isotropic	DMSO_conditions_1
3D HNN	DMSO_Sample_1	isotropic	DMSO_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

CCPN_Analysis, Vraken et al. 2005 - chemical shift assignment

TOPSPIN, Bruker Biospin - collection, processing

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

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

NMR spectrometers:

Bruker Avance 800 MHz

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