BMRB Entry 6921

Name: Backbone and side chain chemical shift assignments for hydrophilic domain of human cytochrome b5
Published: 2009-05-27

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PDB ID: 2i96
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6921
MolProbity Validation Chart

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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 side chain chemical shift assignments for hydrophilic domain of human cytochrome b5

Deposition date:

2005-12-09

Original release date:

2009-05-27

Authors:

Nunez, Marcela; Truan, Gilles; Van Heijennort, Carine

Citation:

Citation: Nunez, Marcela; Truan, Gilles; Van Heijennort, Carine. "1H, 13C and 15N backbone resonances assignment of the hydrophilic domain of human cytochrome b5" J. Biomol. NMR ., .-..

Assembly members:

Assembly members:
cytb5, polymer, 107 residues, 12950 Da.
HEM, non-polymer, 616.487 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cytb5: AEQSDEAVKYYTLEEIQKHN HSKSTWLILHHKVYDLTKFL EEHPGGEEVLREQAGGDATE NFEDVGHSTDAREMSKTFII GELHPDDRPKLNKPPETLIT TIDSSSS

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	461
15N chemical shifts	103
1H chemical shifts	703

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hydrophilic domain	1
2	protoporphyrin IX with FE	2

Entities:

Entity 1, hydrophilic domain 107 residues - 12950 Da.

1

ALA

GLU

GLN

SER

ASP

GLU

ALA

VAL

LYS

TYR

2

TYR

THR

LEU

GLU

ILE

GLN

LYS

HIS

ASN

3

HIS

SER

LYS

SER

THR

TRP

LEU

ILE

LEU

HIS

4

HIS

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

MET

SER

LYS

THR

PHE

ILE

9

GLY

GLU

LEU

HIS

PRO

ASP

ARG

PRO

LYS

10

LEU

ASN

LYS

PRO

GLU

THR

LEU

ILE

THR

11

THR

ILE

ASP

SER

Entity 2, protoporphyrin IX with FE - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Samples:

sample_1: cytb5, [U-99% 13C; U-99% 15N], 1 mM

conditions_1: pH: 6.5; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	sample_1	not available	conditions_1
HN(CO)CA	sample_1	not available	conditions_1
HNCO	sample_1	not available	conditions_1
HN(CA)CO	sample_1	not available	conditions_1
CBCA(CO)NH	sample_1	not available	conditions_1
HNCACB	sample_1	not available	conditions_1
HCCH-TOCSY	sample_1	not available	conditions_1
NOESY-15N-HSQC	sample_1	not available	conditions_1
TOCSY-15N-HSQC	sample_1	not available	conditions_1
NOESY-13C-HSQC	sample_1	not available	conditions_1

Software:

No software information available

NMR spectrometers:

BRUKER AVANCE 600 MHz
BRUKER AVANCE 600 MHz

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