BMRB Entry 5745

Name: NMR Structure of bovine cytochrome b5
Published: 2007-11-05

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PDB ID: 1hko
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5745
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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:

NMR Structure of bovine cytochrome b5

Deposition date:

2003-03-18

Original release date:

2007-11-05

Authors:

Muskett, Frederick; Whitford, David

Citation:

Citation: Muskett, Frederick; Whitford, David. "The solution structure of bovine ferricytochrome b5 determined using heteronuclear NMR methods" J. Biomol. NMR 258, 172-189 (1996).
PubMed: 8613986

Assembly members:

Assembly members:
Cytochrome b5, polymer, 104 residues, 11795 Da.
HEM, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cytochrome b5: AEESSKAVKYYTLEEIQKHN NSKSTWLILHYKVYDLTKFL EEHPGGEEVLREQAGGDATE NFEDVGHSTDARELSKTFII GELHPDDRSKITKPSESIIT TIDS

Data sets:

assigned_chemical_shifts
- set_1

Data type	Count
1H chemical shifts	508
13C chemical shifts	307
15N chemical shifts	83

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cytochrome b5 monomer	1
2	HEM_ox	2

Entities:

Entity 1, cytochrome b5 monomer 104 residues - 11795 Da.

1

ALA

GLU

SER

LYS

ALA

VAL

LYS

TYR

2

TYR

THR

LEU

GLU

ILE

GLN

LYS

HIS

ASN

3

ASN

SER

LYS

SER

THR

TRP

LEU

ILE

LEU

HIS

4

TYR

LYS

VAL

TYR

ASP

LEU

THR

LYS

PHE

LEU

5

GLU

HIS

PRO

GLY

GLU

VAL

LEU

6

ARG

GLU

GLN

ALA

GLY

ASP

ALA

THR

GLU

7

ASN

PHE

GLU

ASP

VAL

GLY

HIS

SER

THR

ASP

8

ALA

ARG

GLU

LEU

SER

LYS

THR

PHE

ILE

9

GLY

GLU

LEU

HIS

PRO

ASP

ARG

SER

LYS

10

ILE

THR

LYS

PRO

SER

GLU

SER

ILE

THR

11

THR

ILE

ASP

SER

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

1

HEM

Samples:

sample_1: Cytochrome b5, [U-13C; U-15N], 1.0 – 2.0 mM; Phosphate 20 mM

Experimental_Conditions: pH: 7.0; temperature: 300 K; ionic strength: 0.08 M

Experiments:

Name	Sample	Sample state	Sample conditions
15H-1H HSQC	sample_1	not available	Experimental_Conditions
15H-1H TOCSY-HSQC	sample_1	not available	Experimental_Conditions
15H-1H NOESY-HSQC	sample_1	not available	Experimental_Conditions
HNCO	sample_1	not available	Experimental_Conditions
CBCANH	sample_1	not available	Experimental_Conditions
CBCA(CO)NH	sample_1	not available	Experimental_Conditions
HCCH-TOCSY	sample_1	not available	Experimental_Conditions
(HB)CB(CGCD)HD/HE	sample_1	not available	Experimental_Conditions
13C-edited NOESY-HSQC	sample_1	not available	Experimental_Conditions

Software:

XEASY v1.5 - Resonance assignment, NOE peak volume measurement

NMR spectrometers:

Varian Unity 600 MHz
Varian UnityPlus 500 MHz
Varian Inova 600 MHz

SWISS-PROT	P00171
REF	NP_776458
PRF	1803548B 1106188A
GenBank	ABQ12619 AAI08114 AAC14455
EMBL	CAA31949
PDB	1U9U 1U9M 1SH4 1NX7 1M59 1M20 1LR6 1LQX 1J0Q 1HKO 1ES1 1EHB 1CYO
BMRB	6131 4810 4809 4808 4807 4806 4805 4804 4803 294 1324 1323