BMRB Entry 50203

Name: 1H, 13C, and 15N Chemical Shift Assignments of the cGMP-Binding Domain D of the Plasmodium falciparum PKG (cGMP-bound)
Published: 2020-04-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50203

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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 Chemical Shift Assignments of the cGMP-Binding Domain D of the Plasmodium falciparum PKG (cGMP-bound)

Deposition date:

2020-02-24

Original release date:

2020-04-21

Authors:

Byun, Jung Ah; Van, Katherine; Akimoto, Madoka; Melacini, Giuseppe

Citation:

Citation: Byun, Jung Ah; Van, Katherine; Huang, Jinfeng; Henning, Philipp; Franz, Eugen; Akimoto, Madoka; Herberg, Friedrich; Kim, Choel; Melacini, Giuseppe. "Mechanism of allosteric inhibition in the Plasmodium falciparum cGMP-dependent protein kinase" J. Biol. Chem. 295, 8480-8491 (2020).
PubMed: 32317283

Assembly members:

Assembly members:
entity_1, polymer, 142 residues, Formula weight is not available
CYCLIC GUANOSINE MONOPHOSPHATE, non-polymer, 345.205 Da.

Natural source:

Natural source: Common Name: plasdmodium falciparum Taxonomy ID: 5833 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasdmodium falciparum

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DASIDYNNKKSIIKKMYIFR YLTDKQCNLLIEAFRTTRYE EGDYIIQEGEVGSRFYIIKN GEVEIVKNKKRLRTLGKNDY FGERALLYDEPRTASVISKV NNVECWFVDKSVFLQIIQGP MLAHLEERIKMQDTKVEMDE LE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	219
15N chemical shifts	114
1H chemical shifts	114

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PfPKG CBD-D	1
2	cGMP	2

Entities:

Entity 1, PfPKG CBD-D 142 residues - Formula weight is not available

1

ASP

ALA

SER

ILE

ASP

TYR

ASN

LYS

2

SER

ILE

LYS

MET

TYR

ILE

PHE

ARG

3

TYR

LEU

THR

ASP

LYS

GLN

CYS

ASN

LEU

4

ILE

GLU

ALA

PHE

ARG

THR

ARG

TYR

GLU

5

GLU

GLY

ASP

TYR

ILE

GLN

GLU

GLY

GLU

6

VAL

GLY

SER

ARG

PHE

TYR

ILE

LYS

ASN

7

GLY

GLU

VAL

GLU

ILE

VAL

LYS

ASN

LYS

8

ARG

LEU

ARG

THR

LEU

GLY

LYS

ASN

ASP

TYR

9

PHE

GLY

GLU

ARG

ALA

LEU

TYR

ASP

GLU

10

PRO

ARG

THR

ALA

SER

VAL

ILE

SER

LYS

VAL

11

ASN

VAL

GLU

CYS

TRP

PHE

VAL

ASP

LYS

12

SER

VAL

PHE

LEU

GLN

ILE

GLN

GLY

PRO

13

MET

LEU

ALA

HIS

LEU

GLU

ARG

ILE

LYS

14

MET

GLN

ASP

THR

LYS

VAL

GLU

MET

ASP

GLU

15

LEU

GLU

Entity 2, cGMP - C10 H12 N5 O7 P - 345.205 Da.

1

PCG

Samples:

sample_1: Plasmodium falciparum PKG cGMP-Binding Domain D, [U-100% 13C; U-100% 15N], 350 mM; cGMP 2 mM; TRIS 50 mM; sodium chloride 100 mM; magnesium chloride 10 mM; DTT 1 mM

sample_conditions_1: pH: 7; temperature: 306 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

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