BMRB Entry 15805

Name: NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium
Published: 2009-10-12

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PDB ID: 2k4n
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15805
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium

Deposition date:

2008-06-13

Original release date:

2009-10-12

Authors:

Cort, John; Ho, Chi; Shetty, Karishma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael

Citation:

Citation: Cort, John. "Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis" .

Assembly members:

Assembly members:
PA0426, polymer, 111 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Pyrococcus furiosus Taxonomy ID: 2261 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PA0426: MNSEVIKEFLEDIGEDYIEL ENEIHLKPEVFYEVWKYVGE PELKTYVIEDEIVEPGEYDP PEMKYTNVKKVKIKKVYFET LDNVRVVTDYSEFQKILKKR GTKLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	447
15N chemical shifts	102
1H chemical shifts	631

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PA0246	1

Entities:

Entity 1, PA0246 111 residues - Formula weight is not available

The protein contains a C-terminal His-tag, -LEHHHHHH

1

MET

ASN

SER

GLU

VAL

ILE

LYS

GLU

PHE

LEU

2

GLU

ASP

ILE

GLY

GLU

ASP

TYR

ILE

GLU

LEU

3

GLU

ASN

GLU

ILE

HIS

LEU

LYS

PRO

GLU

VAL

4

PHE

TYR

GLU

VAL

TRP

LYS

TYR

VAL

GLY

GLU

5

PRO

GLU

LEU

LYS

THR

TYR

VAL

ILE

GLU

ASP

6

GLU

ILE

VAL

GLU

PRO

GLY

GLU

TYR

ASP

PRO

7

PRO

GLU

MET

LYS

TYR

THR

ASN

VAL

LYS

8

VAL

LYS

ILE

LYS

VAL

TYR

PHE

GLU

THR

9

LEU

ASP

ASN

VAL

ARG

VAL

THR

ASP

TYR

10

SER

GLU

PHE

GLN

LYS

ILE

LEU

LYS

ARG

11

GLY

THR

LYS

LEU

GLU

HIS

12

HIS

Samples:

sample_1: PA0426, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; H2O 95%; D2O, [U-100% 2H], 5%; sodium chloride 100 mM; MES 20 mM; calcium chloride 5 mM; sodium azide 0.02%

sample_2: PA0426, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; D2O, [U-100% 2H], 100%; sodium chloride 100 mM; MES 20 mM; calcium chloride 5 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
4D 13C-13C HMQC NOESY	sample_2	isotropic	sample_conditions_1

Software:

FELIX v98, Accelrys Software Inc. - data analysis, processing

SPARKY, Goddard - data analysis, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 750 MHz

PDB	2K4N
GB	AAL80370 AFN03032
REF	WP_011011361