BMRB Entry 26775

Name: Backbone and side chain 1H, 13C, and 15N Chemical Shift assignments for Plasmodium falciparum SUMO.
Published: 2016-10-14

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26775

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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 1H, 13C, and 15N Chemical Shift assignments for Plasmodium falciparum SUMO.

Deposition date:

2016-04-12

Original release date:

2016-10-14

Authors:

Singh, Jai Shankar; Gujrati, Mansi; Shukla, Vaibhav; Mishra, Ram; Kumar, Ashutosh

Citation:

Citation: Singh, Jai Shankar; Shukla, Vaibhav Kumar; Gujrati, Mansi; Mishra, Ram Kumar; Kumar, Ashutosh. "Backbone and side-chain resonance assignments of Plasmodium falciparum SUMO" Biomol NMR Assign 11, 17-20 (2017).
PubMed: 27699617

Assembly members:

Assembly members:
Plasmodium_falciparum_SUMO, polymer, 98 residues, Formula weight is not available

Natural source:

Natural source: Common Name: malaria parasite P. falciparum Taxonomy ID: 5833 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasmodium falciparum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-6P-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Plasmodium_falciparum_SUMO: MGDDDSAVNNNGSSPVNNQG EHIQVKVRSPDGAEVFFKIK RKTKLEKLMEVYCNRLGQSM EAVRFLYDGDRIHGDNTPEQ LGIEDGDVIDAMVQQTGG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	355
15N chemical shifts	93
1H chemical shifts	556

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PfSUMO	1

Entities:

Entity 1, PfSUMO 98 residues - Formula weight is not available

1

MET

GLY

ASP

SER

ALA

VAL

ASN

2

ASN

GLY

SER

PRO

VAL

ASN

GLN

GLY

3

GLU

HIS

ILE

GLN

VAL

LYS

VAL

ARG

SER

PRO

4

ASP

GLY

ALA

GLU

VAL

PHE

LYS

ILE

LYS

5

ARG

LYS

THR

LYS

LEU

GLU

LYS

LEU

MET

GLU

6

VAL

TYR

CYS

ASN

ARG

LEU

GLY

GLN

SER

MET

7

GLU

ALA

VAL

ARG

PHE

LEU

TYR

ASP

GLY

ASP

8

ARG

ILE

HIS

GLY

ASP

ASN

THR

PRO

GLU

GLN

9

LEU

GLY

ILE

GLU

ASP

GLY

ASP

VAL

ILE

ASP

10

ALA

MET

VAL

GLN

THR

GLY

Samples:

PfSUMO_1: Plasmodium falciparum SUMO (PfSUMO), [U-15N], 1 mM; TRIS 20 mM; sodium chloride 50 mM; D2O 10%

PfSUMO_2: Plasmodium falciparum SUMO (PfSUMO), [U-13C; U-15N], 1 mM; TRIS 20 mM; sodium chloride 50 mM; D2O 10%

PfSUMO_3: Plasmodium falciparum SUMO (PfSUMO), [U-13C; U-15N], 1 mM; TRIS 20 mM; sodium chloride 50 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	PfSUMO_1	isotropic	sample_conditions_1
3D HNN	PfSUMO_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	PfSUMO_2	isotropic	sample_conditions_1
3D CBCANH	PfSUMO_2	isotropic	sample_conditions_1
3D HNCO	PfSUMO_2	isotropic	sample_conditions_1
3D HN(CA)CO	PfSUMO_2	isotropic	sample_conditions_1
3D TOCSY-HSQC	PfSUMO_1	isotropic	sample_conditions_1
3D HCC(CO)NH	PfSUMO_2	isotropic	sample_conditions_1
3D CC(CO)NH	PfSUMO_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	PfSUMO_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	PfSUMO_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	PfSUMO_3	isotropic	sample_conditions_1

Software:

CcpNmr v2.3.1, CCPN - chemical shift assignment

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

TOPSPIN v3.2, Bruker Biospin - processing

TALOS vtalos+, Cornilescu, Delaglio and Bax - Secodary Strucutre Prediction

NMR spectrometers:

Bruker Ascend 750 MHz
Bruker Avance 800 MHz
Bruker Avance 700 MHz