BMRB Entry 5802

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5802

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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:

1H, 13C and 15N Backbone Resonance assignments for the water soluble domain of ferric rat liver outer mitochondrial membrane cytochrome b5

Deposition date:

2003-05-19

Original release date:

2007-03-22

Authors:

Massiah, Michael; Altuve, Adriana; Eastman, Margaret; Caignan, Gregori; Rivera, Mario

Citation:

Citation: Simeonov, M.; Altuve, Adriana; Massiah, Michael; Wang, A.; Eastman, Margaret; Benson, D.; Rivera, Mario. "Mitochondrial and microsomal ferric b5 cytochromes exhibit divergent conformational plasticity in the context of a common fold" Biochemistry 44, 9308-9319 (2005).
PubMed: 15981997

Assembly members:

Assembly members:
membrane of mitochondria cytochrome b5, polymer, 93 residues, 11000 Da.
HEM, non-polymer, 616.487 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
membrane of mitochondria cytochrome b5: MDGQGSDPAVTYYRLEEVAK RNTAEETWMVIHGRVYDITR FLSEHPGGEEVLLEQAGADA TESFEDVGHSPDAREMLKQY YIGDVHPNDLKPK

Data sets:

assigned_chemical_shifts
- shift_set_1
- shift_set_2

Data type	Count
1H chemical shifts	242
13C chemical shifts	359
15N chemical shifts	120

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	omb5 isomer 1	1
2	omb5 isomer 2	1
3	Heme	2

Entities:

Entity 1, omb5 isomer 1 93 residues - 11000 Da.

1

MET

ASP

GLY

GLN

GLY

SER

ASP

PRO

ALA

VAL

2

THR

TYR

ARG

LEU

GLU

VAL

ALA

LYS

3

ARG

ASN

THR

ALA

GLU

THR

TRP

MET

VAL

4

ILE

HIS

GLY

ARG

VAL

TYR

ASP

ILE

THR

ARG

5

PHE

LEU

SER

GLU

HIS

PRO

GLY

GLU

6

VAL

LEU

GLU

GLN

ALA

GLY

ALA

ASP

ALA

7

THR

GLU

SER

PHE

GLU

ASP

VAL

GLY

HIS

SER

8

PRO

ASP

ALA

ARG

GLU

MET

LEU

LYS

GLN

TYR

9

TYR

ILE

GLY

ASP

VAL

HIS

PRO

ASN

ASP

LEU

10

LYS

PRO

LYS

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

1

HEM

Samples:

sample_1: membrane of mitochondria cytochrome b5, [U-99% 15N; U-99% 13C], 1.0 mM; PROTOPORPHYRIN IX CONTAINING FE 1.0 mM; Na2HPO4 0.0268 M; NaH2PO4 0.0226 M

cond_1: pH: 7.0; temperature: 303 K; ionic strength: 0.1 M; pressure: 760 mmHg

Experiments:

Name	Sample	Sample state	Sample conditions
2D-1H-15N HSQC	sample_1	not available	cond_1
3D-1H-15N NOESY-HSQC	sample_1	not available	cond_1
3D-1H-15N HMQC-NOESY-HSQC	sample_1	not available	cond_1
HNCA	sample_1	not available	cond_1
CBCACONH	sample_1	not available	cond_1
3D-HNHA	sample_1	not available	cond_1
HNCO	sample_1	not available	cond_1
HNCACB	sample_1	not available	cond_1

Software:

NMRpipe - data processing

Sparky v3.0 - data analysis

NMR spectrometers:

Varian Inova 600 MHz

PDB	1AWP 1B5M 1EUE 3MUS 4HIL
DBJ	BAE38844
EMBL	CAA65256 CAA73117
GB	AAH72535 EDL92471
REF	NP_085075
SP	P04166
AlphaFold	P04166