BMRB Entry 16319

Name: The solution structure of the circular bacteriocin carnocyclin A (CclA)
Published: 2009-09-04

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PDB ID: 2kjf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16319
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: The solution structure of the circular bacteriocin carnocyclin A (CclA) PubMed: 19692336

Deposition date: 2009-05-28 Original release date: 2009-09-04

Authors: Martin-Visscher, Leah; Gong, Xiandi; Duszyk, Marek; Vederas, John

Citation: Martin-Visscher, Leah; Gong, Xiandi; Duszyk, Marek; Vederas, John. "The three-dimensional structure of carnocyclin A reveals that many circular bacteriocins share a common structural motif." J. Biol. Chem. 284, 28674-28681 (2009).

Assembly members:
Carnocyclin_A, polymer, 60 residues, 5864 Da.

Natural source: Common Name: Carnobacterium maltaromaticum Taxonomy ID: 2751 Superkingdom: Bacteria Kingdom: not available Genus/species: Carnobacterium maltaromaticum

Experimental source: Production method: purified from the natural source Host organism: Carnobacterium maltaromaticum (Carnobacterium piscicola)

Entity Sequences (FASTA):
Carnocyclin_A: LVAYGIAQGTAEKVVSLINA GLTVGSIISILGGVTVGLSG VFTAVKAAIAKQGIKKAIQL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	261
15N chemical shifts	64
1H chemical shifts	441

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Carnocyclin_A	1

Entities:

Entity 1, Carnocyclin_A 60 residues - 5864 Da.

Covalent bond between N- and C- termini

1	LEU	VAL	ALA	TYR	GLY	ILE	ALA	GLN	GLY	THR
2	ALA	GLU	LYS	VAL	VAL	SER	LEU	ILE	ASN	ALA
3	GLY	LEU	THR	VAL	GLY	SER	ILE	ILE	SER	ILE
4	LEU	GLY	GLY	VAL	THR	VAL	GLY	LEU	SER	GLY
5	VAL	PHE	THR	ALA	VAL	LYS	ALA	ALA	ILE	ALA
6	LYS	GLN	GLY	ILE	LYS	LYS	ALA	ILE	GLN	LEU

Samples:

Sample_1: Carnocyclin A, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; EDTA 1 mM; sodium azide 1 mM; DSS 0.1 mM; H2O 90%; D2O 10%

Sample_2: Carnocyclin A, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; EDTA 1 mM; sodium azide 1 mM; DSS 0.1 mM; D2O 100%

Condition_1: pH: 5.9; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	Sample_1	isotropic	Condition_1
3D HNCO	Sample_1	isotropic	Condition_1
3D HNCACB	Sample_1	isotropic	Condition_1
3D CBCA(CO)NH	Sample_1	isotropic	Condition_1
3D 1H-15N NOESY	Sample_1	isotropic	Condition_1
3D 1H-15N TOCSY	Sample_1	isotropic	Condition_1
3D HNHA	Sample_1	isotropic	Condition_1
2D 1H-1H TOCSY	Sample_2	isotropic	Condition_1
2D 1H-1H COSY	Sample_2	isotropic	Condition_1
2D 1H-1H NOESY	Sample_2	isotropic	Condition_1
2D 1H-13C HSQC	Sample_2	isotropic	Condition_1
3D HCCH-TOCSY	Sample_2	isotropic	Condition_1
3D 1H-13C NOESY	Sample_2	isotropic	Condition_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2KJF
GB	ACC93994
SP	B2MVM5

Biological Magnetic Resonance Data Bank