BMRB Entry 16118

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PDB ID: 2kdn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16118
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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:

Solution structure of PFE0790c, a putative bolA-like protein from the protozoan parasite Plasmodium falciparum: A Structural Genomics Center for Infectious Disease (SSGCID) community request.

Deposition date:

2009-01-12

Original release date:

2009-03-05

Authors:

Buchko, Garry; Yee, Adelinda; Semesi, Anthony; Hui, Raymond; Arrowsmith, Cheryl

Citation:

Citation: Buchko, Garry; Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl; Hui, Raymond. "Structural characterization of PFE0790c, a putative bolA-like protein from Plasmodium falciparum, the protozoan parasite responsible for malaria." .

Assembly members:

Assembly members:
PFE0790c, polymer, 108 residues, 12328.188 Da.

Natural source:

Natural source: Common Name: Plasmodium falciparum Taxonomy ID: 36329 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasmodium falciparum

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PFE0790c: MGSSHHHHHHSSGRENLYFQ GHMCIQKVIEDKLSSALKPT FLELVDKSCGCGTSFDAVIV SNNFEDKKLLDRHRLVNTIL KEELQNIHAFSMKCHTPLEY DKLKSKGS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	391
15N chemical shifts	95
1H chemical shifts	607

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PFE0790c	1

Entities:

Entity 1, PFE0790c 108 residues - 12328.188 Da.

N-terminal residues 1-22 and C-terminal residues 107-108 are not native. The first residue in the native sequence of PFE0790c is M23.

1

MET

GLY

SER

HIS

2

SER

GLY

ARG

GLU

ASN

LEU

TYR

PHE

GLN

3

GLY

HIS

MET

CYS

ILE

GLN

LYS

VAL

ILE

GLU

4

ASP

LYS

LEU

SER

ALA

LEU

LYS

PRO

THR

5

PHE

LEU

GLU

LEU

VAL

ASP

LYS

SER

CYS

GLY

6

CYS

GLY

THR

SER

PHE

ASP

ALA

VAL

ILE

VAL

7

SER

ASN

PHE

GLU

ASP

LYS

LEU

8

ASP

ARG

HIS

ARG

LEU

VAL

ASN

THR

ILE

LEU

9

LYS

GLU

LEU

GLN

ASN

ILE

HIS

ALA

PHE

10

SER

MET

LYS

CYS

HIS

THR

PRO

LEU

GLU

TYR

11

ASP

LYS

LEU

LYS

SER

LYS

GLY

SER

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1.5 ± 0.5 mM; sodium phosphate 10 ± 1 mM; sodium chloride 200 ± 5 mM; DTT 10 ± 1 mM; sodium azide 0.01 ± 0.002 %; benzamidine 1 ± 0.01 mM; H2O 93%; D2O 7%

sample_2: entity, [U-7% 13C; U-99% 15N], 1.5 ± 0.5 mM; sodium phosphate 10 ± 1 mM; sodium chloride 200 ± 5 mM; DTT 10 ± 1 mM; sodium azide 0.01 ± 0.002 %; benzamidine 1 ± 0.01 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY v3.110, Goddard - data analysis, peak picking

FELIX v2007, Accelrys Software Inc. - processing

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

PSVS v1.3, Bhattacharya and Montelione - data analysis

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 750 MHz
Varian INOVA 800 MHz

PDB	2KDN
EMBL	CAD51522 CDO63036
GB	KOB58477
REF	XP_001351715 XP_012761671