BMRB Entry 18189

Name: DocA
Published: 2012-03-27

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18189

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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:

DocA

Deposition date:

2012-01-09

Original release date:

2012-03-27

Authors:

Feng, Yingang; Cui, Zhenling; Li, Yifei; Cui, Qiu

Citation:

Citation: Cui, Zhenling; Li, Yifei; Xiao, Yan; Feng, Yingang; Cui, Qui. "Resonance assignments of cohesin and dockerin domains from Clostridium acetobutylicum ATCC824." Biomol. NMR Assignments 7, 73-76 (2013).
PubMed: 22446850

Assembly members:

Assembly members:
DocA, polymer, 67 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Clostridium acetobutylicum Taxonomy ID: 1488 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium acetobutylicum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28aNS

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DocA: GSASNTILGDLNDDGVVNGR DIVMMRQYLAGKTVSGIDKN ALDINGDGAVNGRDLMELIK KVSNNTS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	266
15N chemical shifts	76
1H chemical shifts	443

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DocA	1

Entities:

Entity 1, DocA 67 residues - Formula weight is not available

1

GLY

SER

ALA

SER

ASN

THR

ILE

LEU

GLY

ASP

2

LEU

ASN

ASP

GLY

VAL

ASN

GLY

ARG

3

ASP

ILE

VAL

MET

ARG

GLN

TYR

LEU

ALA

4

GLY

LYS

THR

VAL

SER

GLY

ILE

ASP

LYS

ASN

5

ALA

LEU

ASP

ILE

ASN

GLY

ASP

GLY

ALA

VAL

6

ASN

GLY

ARG

ASP

LEU

MET

GLU

LEU

ILE

LYS

7

LYS

VAL

SER

ASN

THR

SER

Samples:

sample_1: DocA, [U-100% 13C; U-100% 15N], 0.6 mM; sodium acetate 20 mM; potassium chloride 100 mM; calcium chloride 1 mM; sodium azide 0.01 % w/v; DSS 0.05 % w/v

sample_conditions_1: ionic strength: 121 mM; pH: 4.8; 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 HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	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 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

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

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

NMR spectrometers:

Bruker DMX 600 MHz

GB	AAK78893 ADZ19968 AEI31499 KHD35937
REF	NP_347553 WP_010964235 WP_034584222