BMRB Entry 15828

Name: NMR Structure for PF0385
Published: 2008-08-20

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PDB ID: 2k5c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15828
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Structure for PF0385

Deposition date:

2008-06-26

Original release date:

2008-08-20

Authors:

Prestegard, James; Tian, Fang; Baucom, Clay; Adams, Michael; Sugar, Frank

Citation:

Citation: Prestegard, James; Tian, Fang; Baucom, Clay; Adams, Michael; Sugar, Frank. "NMR structure of PF0385" .

Assembly members:

Assembly members:
PF0385, polymer, 88 residues, 10472.290 Da.

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: pet27

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PF0385: MAKCPICGSPLKWEELIEEM LIIENFEEIVKDRERFLAQV EEFVFKCPVCGEEFYGKTLP RREAEKVFELLNDFKGGIDW ENKRVKLK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
RDCs

Data type	Count
13C chemical shifts	247
15N chemical shifts	85
1H chemical shifts	467

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PF0385	1

Entities:

Entity 1, PF0385 88 residues - 10472.290 Da.

1

MET

ALA

LYS

CYS

PRO

ILE

CYS

GLY

SER

PRO

2

LEU

LYS

TRP

GLU

LEU

ILE

GLU

MET

3

LEU

ILE

GLU

ASN

PHE

GLU

ILE

VAL

4

LYS

ASP

ARG

GLU

ARG

PHE

LEU

ALA

GLN

VAL

5

GLU

PHE

VAL

PHE

LYS

CYS

PRO

VAL

CYS

6

GLY

GLU

PHE

TYR

GLY

LYS

THR

LEU

PRO

7

ARG

GLU

ALA

GLU

LYS

VAL

PHE

GLU

LEU

8

LEU

ASN

ASP

PHE

LYS

GLY

ILE

ASP

TRP

9

GLU

ASN

LYS

ARG

VAL

LYS

LEU

LYS

Samples:

sample_1: PF0385, [U-100% 13C; U-100% 15N], 1.2 mM; Tris-Mops 20 mM; DTT 5 mM; KCl 50 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_2: PF0385, [U-100% 13C; U-100% 15N], 0.8 mM; Tris-Mops 20 mM; DTT 5 mM; KCl 50 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 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 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 HN(CA)CO	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-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC-IPAP	sample_2	anisotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz

PDB	2K5C
GB	AAL80509 AFN03141
REF	WP_011011499