BMRBj - BMREntryMaster

Found 1 Document (0.411 seconds)

BMRB: 15012

chemical shift assignment of the protein Atu4866 from Agrobacterium tumefaciens

Authors

Ai, X., Semesi, A., Yee, A., Arrowsmith, C.H., Li, S.S.C., Choy, W.

Assembly

Atu4866

Entity

1. Atu4866 (polymer, Thiol state: not present), 100 monomers, 11574.45 Da Detail

MGSSHHHHHH SSGRENLYFQ GMQHPYVGIW VTADGRIRQE LLPNGRYDEA RGNRKSAYQG RYEVRGAHIN YWDDTGFTAD GDFVSANELH HGGMTFYREK

Formula weight

11574.45 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 80.0 %, Completeness: 67.9 %, Completeness (bb): 75.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	67.9 % (779 of 1147)	68.5 % (408 of 596)	67.2 % (297 of 442)	67.9 % (74 of 109)
Backbone	75.2 % (448 of 596)	74.4 % (157 of 211)	76.7 % (220 of 287)	72.4 % (71 of 98)
Sidechain	61.9 % (395 of 638)	64.7 % (249 of 385)	59.5 % (144 of 242)	18.2 % (2 of 11)
Aromatic	30.0 % (48 of 160)	41.2 % (33 of 80)	16.7 % (13 of 78)	100.0 % (2 of 2)
Methyl	87.5 % (56 of 64)	84.4 % (27 of 32)	90.6 % (29 of 32)

1. Atu4866

MGSSHHHHHH SSGRENLYFQ GMQHPYVGIW VTADGRIRQE LLPNGRYDEA RGNRKSAYQG RYEVRGAHIN YWDDTGFTAD GDFVSANELH HGGMTFYREK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

LACS Plot; CA

Referencing offset: 0.01 ppm, Outliers: 3 Detail

LACS Plot; CB

Referencing offset: 0.01 ppm, Outliers: 3 Detail

LACS Plot; HA

Referencing offset: -0.21 ppm, Outliers: 3 Detail

LACS Plot; CO

Referencing offset: 0.56 ppm, Outliers: 1 Detail

Release date

2008-05-11

Citation

The hypothetical protein Atu4866 from Agrobacterium tumefaciens adopts a streptavidin-like fold
Ai, X., Semesi, A., Yee, A., Arrowsmith, C.H., Choy, W., Li, S.S.C.
Protein Sci. (2008), 17, 154-158, PubMed 18042676 , DOI 10.1110/ps.073167408 , Abstract

Related entities 1. Atu4866, : 7 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

4 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

5 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

6 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

7 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

9 3D HNHA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

11 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±0.1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Atu4866	[U-13C; U-15N]		0.3 ~ 0.5 mM
2	sodium acetate			10.0 ~ 0.0 mM
3	NaCl			300.0 ~ 0.0 mM
4	Zn2+			10.0 ~ 0.0 mM
5	DTT			10.0 ~ 0.0 uM
6	NaN3			0.01 ~ 0.0 mM
7	inhibitor mixture			1.0 ~ 0.0 %
8	benzamidine			1.0 ~ 0.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15012_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr15012_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	813		78.0 (chain: 1, length: 100)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 100, Sequence coverage: 78.0%
- Total number of assignments
  - ¹H chemical shifts: 458
  - ¹³C chemical shifts: 282
  - ¹⁵N chemical shifts: 73
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1