BMRB Entry 15012

Name: chemical shift assignment of the protein Atu4866 from Agrobacterium tumefaciens
Published: 2008-05-12

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15012

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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:

chemical shift assignment of the protein Atu4866 from Agrobacterium tumefaciens

Deposition date:

2006-11-01

Original release date:

2008-05-12

Authors:

Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Li, Shawn; Choy, Wing-Yiu

Citation:

Citation: Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Choy, Wing-Yiu; Li, Shawn. "The hypothetical protein Atu4866 from Agrobacterium tumefaciens adopts a streptavidin-like fold" Protein Sci. 17, 154-158 (2008).
PubMed: 18042676

Assembly members:

Assembly members:
Atu4866, polymer, 100 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Agrobacterium tumefaciens Taxonomy ID: 358 Superkingdom: Bacteria Kingdom: not available Genus/species: Agrobacterium tumefaciens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET derived vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Atu4866: MGSSHHHHHHSSGRENLYFQ GMQHPYVGIWVTADGRIRQE LLPNGRYDEARGNRKSAYQG RYEVRGAHINYWDDTGFTAD GDFVSANELHHGGMTFYREK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	282
15N chemical shifts	73
1H chemical shifts	458

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Atu4866	1

Entities:

Entity 1, Atu4866 100 residues - Formula weight is not available

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	ARG	GLU	ASN	LEU	TYR	PHE	GLN
3	GLY	MET	GLN	HIS	PRO	TYR	VAL	GLY	ILE	TRP
4	VAL	THR	ALA	ASP	GLY	ARG	ILE	ARG	GLN	GLU
5	LEU	LEU	PRO	ASN	GLY	ARG	TYR	ASP	GLU	ALA
6	ARG	GLY	ASN	ARG	LYS	SER	ALA	TYR	GLN	GLY
7	ARG	TYR	GLU	VAL	ARG	GLY	ALA	HIS	ILE	ASN
8	TYR	TRP	ASP	ASP	THR	GLY	PHE	THR	ALA	ASP
9	GLY	ASP	PHE	VAL	SER	ALA	ASN	GLU	LEU	HIS
10	HIS	GLY	GLY	MET	THR	PHE	TYR	ARG	GLU	LYS

Samples:

sample_1: Atu4866, [U-13C; U-15N], 0.3 – 0.5 mM; sodium acetate mM; NaCl mM; Zn2+ mM; DTT uM; NaN3 mM; inhibitor mixture%; benzamidine mM

sample_conditions_1: ionic strength: 0.45 M; pH: 5.0; 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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNHA	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

Software:

NMRView v5.2.2, B.A. Johnson, R.A. Blevins - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2JMB
GB	AAK88581 KEY50003 KJX85412
REF	NP_355796 WP_010974236 WP_046033740

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	ARG	GLU	ASN	LEU	TYR	PHE	GLN
3	GLY	MET	GLN	HIS	PRO	TYR	VAL	GLY	ILE	TRP
4	VAL	THR	ALA	ASP	GLY	ARG	ILE	ARG	GLN	GLU
5	LEU	LEU	PRO	ASN	GLY	ARG	TYR	ASP	GLU	ALA
6	ARG	GLY	ASN	ARG	LYS	SER	ALA	TYR	GLN	GLY
7	ARG	TYR	GLU	VAL	ARG	GLY	ALA	HIS	ILE	ASN
8	TYR	TRP	ASP	ASP	THR	GLY	PHE	THR	ALA	ASP
9	GLY	ASP	PHE	VAL	SER	ALA	ASN	GLU	LEU	HIS
10	HIS	GLY	GLY	MET	THR	PHE	TYR	ARG	GLU	LYS

1	MET	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS	HIS
2	SER	SER	GLY	ARG	GLU	ASN	LEU	TYR	PHE	GLN
3	GLY	MET	GLN	HIS	PRO	TYR	VAL	GLY	ILE	TRP
4	VAL	THR	ALA	ASP	GLY	ARG	ILE	ARG	GLN	GLU
5	LEU	LEU	PRO	ASN	GLY	ARG	TYR	ASP	GLU	ALA
6	ARG	GLY	ASN	ARG	LYS	SER	ALA	TYR	GLN	GLY
7	ARG	TYR	GLU	VAL	ARG	GLY	ALA	HIS	ILE	ASN
8	TYR	TRP	ASP	ASP	THR	GLY	PHE	THR	ALA	ASP
9	GLY	ASP	PHE	VAL	SER	ALA	ASN	GLU	LEU	HIS
10	HIS	GLY	GLY	MET	THR	PHE	TYR	ARG	GLU	LYS