BMRB Entry 4050

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4050

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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:

1H, 13C, 15N Chemical Shift Assignments for Reduced Clostridium Pasteurianum Rubredoxin

Deposition date:

1997-08-01

Original release date:

1999-08-15

Authors:

Prantner, Andrew; Volkman, Brian; Wilkens, Steven; Xia, Bin; Markley, John

Citation:

Citation: Prantner, Andrew; Volkman, Brian; Wilkens, Steven; Xia, Bin; Markley, John. "Assignment of 1H, 13C, 15N Signals of Reduced Clostridium Pasteurianum Rubredoxin: Oxidation State-Dependent Changes in Chemical Shifts and Relaxation Rates" J. Biomol. NMR 10, 411-412 (1997).

Assembly members:

Assembly members:
rubredoxin peptide, polymer, 54 residues, 6040 Da.
FE2, non-polymer, 55.845 Da.

Natural source:

Natural source: Common Name: C. pasteurianum Taxonomy ID: 1501 Superkingdom: Eubacteria Kingdom: Monera Genus/species: Clostridium pasteurianum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
rubredoxin peptide: MKKYTCTVCGYIYNPEDGDP DNGVNPGTDFKDIPDDWVCP LCGVGKDQFEEVEE

Data sets:

assigned_chemical_shifts
- chemical_shift_assignment_one

Data type	Count
13C chemical shifts	150
15N chemical shifts	41
1H chemical shifts	235

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rubredoxin	1
2	Fe(II)	2

Entities:

Entity 1, rubredoxin 54 residues - 6040 Da.

1

MET

LYS

TYR

THR

CYS

THR

VAL

CYS

GLY

2

TYR

ILE

TYR

ASN

PRO

GLU

ASP

GLY

ASP

PRO

3

ASP

ASN

GLY

VAL

ASN

PRO

GLY

THR

ASP

PHE

4

LYS

ASP

ILE

PRO

ASP

TRP

VAL

CYS

PRO

5

LEU

CYS

GLY

VAL

GLY

LYS

ASP

GLN

PHE

GLU

6

GLU

VAL

GLU

Entity 2, Fe(II) - Fe - 55.845 Da.

1

FE2

Samples:

sample_one: Rubredoxin4 – 6 mM; Phosphate buffer mM

sample_conditions_one: pH: 6.0 na; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	sample_one	not available	sample_conditions_one

Software:

No software information available

NMR spectrometers:

unknown unknown 0 MHz

BMRB	4051 4066 4137 4182 4319 4320
PDB	1B13 1B2J 1BE7 1BFY 1C09 1FHH 1FHM 1IRN 1IRO 1R0F 1R0G 1R0H 1R0I 1R0J 1SMM 1SMU 1SMW 1T9O 1T9Q 4MBS 4XNV 4XNW
GB	AAA23279 AJA49845 AJA53833 ELP57804 KER11884
REF	WP_003447684
SP	P00268
AlphaFold	P00268