BMRB Entry 7320

Name: PufX structure
Published: 2006-11-06

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PDB ID: 2ita
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7320
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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:

PufX structure

Deposition date:

2006-10-20

Original release date:

2006-11-06

Authors:

Tunnicliffe, Richard; Ratcliffe, Emma; Hunter, Neil; Williamson, Mike

Citation:

Citation: Tunnicliffe, Richard; Ratcliffe, Emma; Hunter, Neil; Williamson, Mike. "The solution structure of the PufX polypeptide from Rhodobacter sphaeroides" The BMRB entry is the only known published source for the data..

Assembly members:

Assembly members:
PufX from Rhodobacter sphaeroides, polymer, 82 residues, 9052.6 Da.

Natural source:

Natural source: Common Name: Rhodobacter sphaeroides Taxonomy ID: 272943 Superkingdom: Eubacteria Kingdom: not available Genus/species: Rhodobacter sphaeroides

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PufX from Rhodobacter sphaeroides: MADKTIFNDHLNTNPKTNLR LWVAFQMMKGAGWAGGVFFG TLLLIGFFRVVGRMLPIQEN QAPAPNITGALETGIELIKH LV

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	299
15N chemical shifts	76
1H chemical shifts	480

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PufX	1

Entities:

Entity 1, PufX 82 residues - 9052.6 Da.

1

MET

ALA

ASP

LYS

THR

ILE

PHE

ASN

ASP

HIS

2

LEU

ASN

THR

ASN

PRO

LYS

THR

ASN

LEU

ARG

3

LEU

TRP

VAL

ALA

PHE

GLN

MET

LYS

GLY

4

ALA

GLY

TRP

ALA

GLY

VAL

PHE

GLY

5

THR

LEU

ILE

GLY

PHE

ARG

VAL

6

VAL

GLY

ARG

MET

LEU

PRO

ILE

GLN

GLU

ASN

7

GLN

ALA

PRO

ALA

PRO

ASN

ILE

THR

GLY

ALA

8

LEU

GLU

THR

GLY

ILE

GLU

LEU

ILE

LYS

HIS

9

LEU

VAL

Samples:

sample_1: PufX from Rhodobacter sphaeroides, [U-15N; U-13C], 1 ± 0.1 mM

conditions_1: temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N-HSQC	sample_1	not available	conditions_1
HNCO	sample_1	not available	conditions_1
HN(CA)CO	sample_1	not available	conditions_1
HNCA	sample_1	not available	conditions_1
CBCA(CO)NH	sample_1	not available	conditions_1
HNHA	sample_1	not available	conditions_1
13C/15N-edited_NOESY	sample_1	not available	conditions_1
TOCSY-HSQC	sample_1	not available	conditions_1

Software:

FELIX v2004, Accelrys -

NMR spectrometers:

Bruker DRX-800 800 MHz
Bruker DRX-600 600 MHz

BMRB	10024
PDB	2DW3 2ITA 2NRG 4JC9 4JCB
EMBL	CAB38756
GB	AAA26129 AAF24306 ABA79427 ABN77002 ACM01440
REF	WP_002720419 YP_001043774 YP_002525941 YP_353328
SP	P13402
AlphaFold	P13402 P13402