BMRB Entry 4062

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4062

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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 and 15N Resonance Assignments and Secondary Structure of the Carbon Monoxide Complex of Sperm Whale Myoglobin

Deposition date:

1997-09-26

Original release date:

1998-02-25

Authors:

Theriault, Yves; Pochapsky, Thomas; Dalvit, Claudio; Chiu, Mark; Sligar, Stephen; Wright, Peter

Citation:

Citation: Theriault, Yves; Pochapsky, Thomas; Dalvit, Claudio; Chiu, Mark; Sligar, Stephen; Wright, Peter. "1H and 15N Resonance Assignments and Secondary Structure of the Carbon Monoxide Complex of Sperm Whale Myoglobin" J. Biomol. NMR 4, 491-504 (1994).

Assembly members:

Assembly members:
apomyoglobin, polymer, 154 residues, Formula weight is not available
PROTOPORPHYRIN IX, non-polymer, 562.658 Da.
CARBON MONOXIDE, non-polymer, 28.010 Da.

Natural source:

Natural source: Common Name: sperm whale Taxonomy ID: 9755 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Physeter catodon

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pCKR102

Entity Sequences (FASTA):

Entity Sequences (FASTA):
apomyoglobin: MVLSEGEWQLVLHVWAKVEA DVAGHGQDILIRLFKSHPET LEKFDRFKHLKTEAEMKASE DLKKHGVTVLTALGAILKKK GHHEAELKPLAQSHATKHKI PIKYLEFISEAIIHVLHSRH PGDFGADAQGAMNKALELFR KDIAAKYKELGYQG

Data sets:

assigned_chemical_shifts
- chemical_shift_assignment_MbCO

Data type	Count
15N chemical shifts	148
1H chemical shifts	850

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apomyoglobin	1
2	Iron protoporphyrin IX	2
3	Carbon monoxide	3

Entities:

Entity 1, apomyoglobin 154 residues - Formula weight is not available

1

MET

VAL

LEU

SER

GLU

GLY

GLU

TRP

GLN

LEU

2

VAL

LEU

HIS

VAL

TRP

ALA

LYS

VAL

GLU

ALA

3

ASP

VAL

ALA

GLY

HIS

GLY

GLN

ASP

ILE

LEU

4

ILE

ARG

LEU

PHE

LYS

SER

HIS

PRO

GLU

THR

5

LEU

GLU

LYS

PHE

ASP

ARG

PHE

LYS

HIS

LEU

6

LYS

THR

GLU

ALA

GLU

MET

LYS

ALA

SER

GLU

7

ASP

LEU

LYS

HIS

GLY

VAL

THR

VAL

LEU

8

THR

ALA

LEU

GLY

ALA

ILE

LEU

LYS

9

GLY

HIS

GLU

ALA

GLU

LEU

LYS

PRO

LEU

10

ALA

GLN

SER

HIS

ALA

THR

LYS

HIS

LYS

ILE

11

PRO

ILE

LYS

TYR

LEU

GLU

PHE

ILE

SER

GLU

12

ALA

ILE

HIS

VAL

LEU

HIS

SER

ARG

HIS

13

PRO

GLY

ASP

PHE

GLY

ALA

ASP

ALA

GLN

GLY

14

ALA

MET

ASN

LYS

ALA

LEU

GLU

LEU

PHE

ARG

15

LYS

ASP

ILE

ALA

LYS

TYR

LYS

GLU

LEU

16

GLY

TYR

GLN

GLY

Entity 2, Iron protoporphyrin IX - C34 H34 N4 O4 - 562.658 Da.

1

PP9

Entity 3, Carbon monoxide - C O - 28.010 Da.

1

CMO

Samples:

sample_one: myoglobin carbon monoxide complex, [U-15N], mM; potassium phosphate 0.05 mM; D20 100%

sample_two: myoglobin carbon monoxide complex, [U-15N], mM; potassium phosphate 0.05 mM; D20 10%; H2O 90%

experimental_conditions_MbCO: pH: 5.6; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	not available	not available	experimental_conditions_MbCO

Software:

No software information available

NMR spectrometers:

Bruker AM-500 500 MHz
Bruker AMX-600 600MHz MHz

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