BMRB Entry 18380

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments and Complete 15N Relaxation Analysis of the Soluble C-terminal Domain of CcmE Heme Chaperone from Desulfovibrio vulgaris, dvCcmE(44-137). Northeast Structural Genomics Target DvR115.
Published: 2012-04-26

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18380

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone 1H, 13C, and 15N Chemical Shift Assignments and Complete 15N Relaxation Analysis of the Soluble C-terminal Domain of CcmE Heme Chaperone from Desulfovibrio vulgaris, dvCcmE(44-137). Northeast Structural Genomics Target DvR115.

Deposition date:

2012-04-06

Original release date:

2012-04-26

Authors:

Aramini, James; Hamilton, Keith; Rossi, Paolo; Wang, Huang; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano

Citation:

Citation: Aramini, James; Hamilton, Keith; Rossi, Paolo; Ertekin, Asli; Lee, Hsiau-Wei; Lemak, Alexander; Wang, Huang; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano. "Solution NMR structure, backbone dynamics, and heme-binding properties of a novel cytochrome c maturation protein CcmE from Desulfovibrio vulgaris." Biochemistry 51, 3705-3707 (2012).
PubMed: 22497251

Assembly members:

Assembly members:
dvCcmE', polymer, 97 residues, Formula weight is not available

Natural source:

Natural source: Common Name: d-proteobacteria Taxonomy ID: 881 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfovibrio vulgaris

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15TEV_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
dvCcmE': SHMATPQDKLHTVRLFGTVA ADGLTMLDGAPGVRFRLEDK DNTSKTVWVLYKGAVPDTFK PGVEVIIEGGLAPGEDTFKA RTLMTKCPSKYQKENRG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_1

Data type	Count
13C chemical shifts	270
15N chemical shifts	93
1H chemical shifts	304
heteronuclear NOE values	82
T1 relaxation values	82
T2 relaxation values	82

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	dvCcmE'	1

Entities:

Entity 1, dvCcmE' 97 residues - Formula weight is not available

N-terminal SHM remain after TEV cleavage

1

SER

HIS

MET

ALA

THR

PRO

GLN

ASP

LYS

LEU

2

HIS

THR

VAL

ARG

LEU

PHE

GLY

THR

VAL

ALA

3

ALA

ASP

GLY

LEU

THR

MET

LEU

ASP

GLY

ALA

4

PRO

GLY

VAL

ARG

PHE

ARG

LEU

GLU

ASP

LYS

5

ASP

ASN

THR

SER

LYS

THR

VAL

TRP

VAL

LEU

6

TYR

LYS

GLY

ALA

VAL

PRO

ASP

THR

PHE

LYS

7

PRO

GLY

VAL

GLU

VAL

ILE

GLU

GLY

8

LEU

ALA

PRO

GLY

GLU

ASP

THR

PHE

LYS

ALA

9

ARG

THR

LEU

MET

THR

LYS

CYS

PRO

SER

LYS

10

TYR

GLN

LYS

GLU

ASN

ARG

GLY

Samples:

DvR115.012: dvCcmE', [U-100% 13C; U-100% 15N], 1.06 mM; MES 20 mM; sodium chloride 100 mM; DTT 10 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	DvR115.012	isotropic	sample_conditions_1
3D HNCO	DvR115.012	isotropic	sample_conditions_1
3D HN(CA)CO	DvR115.012	isotropic	sample_conditions_1
3D HNCA	DvR115.012	isotropic	sample_conditions_1
3D HN(CO)CA	DvR115.012	isotropic	sample_conditions_1
3D CBCA(CO)NH	DvR115.012	isotropic	sample_conditions_1
3D HNCACB	DvR115.012	isotropic	sample_conditions_1
3D HCCH-TOCSY	DvR115.012	isotropic	sample_conditions_1
3D HCCH-COSY	DvR115.012	isotropic	sample_conditions_1
3D CCH-TOCSY	DvR115.012	isotropic	sample_conditions_1
2D 1H-15N hetNOE	DvR115.012	isotropic	sample_conditions_1
2D 1H-15N T1 series	DvR115.012	isotropic	sample_conditions_1
2D 1H-15N T2 series	DvR115.012	isotropic	sample_conditions_1
3D HNHA	DvR115.012	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	DvR115.012	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - NMR data collection

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3, Goddard - data analysis, peak picking

PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 600 MHz

GB	AAS95531 ABM28958 ADP86134
REF	WP_010938350 WP_011792563 YP_010272