BMRB Entry 5827

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5827

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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 and sidechain heteronuclear resonance assignments and hyperfine nuclear magnetic resonance shifts in horse cytochrome c

Deposition date:

2003-06-10

Original release date:

2003-09-28

Authors:

Liu, Weixia; Rumbley, Jon; Englander, S.; Wand, A.

Citation:

Citation: Liu, Weixia; Rumbley, Jon; Englander, S.; Wand, A.. "Backbone and Side-chain Heteronuclear Resonance Assignments and Hyperfine NMR Shifts in Horse Cytochrome c" Protein Sci. 12, 2104-2108 (2003).
PubMed: 12931009

Assembly members:

Assembly members:
Horse cytochrome c, polymer, 104 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: 9796 Taxonomy ID: Horse Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Equus caballus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Horse cytochrome c: GDVEKGKKIFVQKCAQCHTV EKGGKNKTGPNLNGLFGRKT GQAPGFTYTDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDLIAYLKK ATNE

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	559
13C chemical shifts	421
15N chemical shifts	98

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cytochrome c	1
2	heme	2

Entities:

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

1

GLY

ASP

VAL

GLU

LYS

GLY

LYS

ILE

PHE

2

VAL

GLN

LYS

CYS

ALA

GLN

CYS

HIS

THR

VAL

3

GLU

LYS

GLY

LYS

ASN

LYS

THR

GLY

PRO

4

ASN

LEU

ASN

GLY

LEU

PHE

GLY

ARG

LYS

THR

5

GLY

GLN

ALA

PRO

GLY

PHE

THR

TYR

THR

ASP

6

ALA

ASN

LYS

ASN

LYS

GLY

ILE

THR

TRP

LYS

7

GLU

THR

LEU

MET

GLU

TYR

LEU

GLU

ASN

8

PRO

LYS

TYR

ILE

PRO

GLY

THR

LYS

MET

9

ILE

PHE

ALA

GLY

ILE

LYS

THR

GLU

10

ARG

GLU

ASP

LEU

ILE

ALA

TYR

LEU

LYS

11

ALA

THR

ASN

GLU

Entity 2, heme - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Samples:

sample_1: Horse cytochrome c 1.0 mM

sample_cond_1: pH: 5.8; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	sample_1	not available	sample_cond_1
3D HNCACB	sample_1	not available	sample_cond_1
3D HNCO	sample_1	not available	sample_cond_1
3D (H)CC(CO)NH_TOCSY	sample_1	not available	sample_cond_1
3D H(CC)(CO)NH_TOCSY	sample_1	not available	sample_cond_1

Software:

FELIX v98 -

NMR spectrometers:

Varian INOVA 750 MHz

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