BMRBj - BMREntryMaster

Found 1 Document (0.328 seconds)

BMRB: 16169

2C4B

Barnase low pressure reference

Authors

Williamson, M.P., Wilton, D.J.

Assembly

Barnase

Entity

1. Barnase (polymer, Thiol state: not present), 108 monomers, 12117.32 Da Detail

VINTFDGVAD YLQTYHKLPD NYITKSEAQA LGWVASKGNL ADVAPGKSIG GDIFSNREGK LPGKSGRTWR EADINYTSGF RNSDRILYSS DWLIYKTTDA YQTFTKIR

Formula weight

12117.32 Da

Source organism

Bacillus amyloliquefaciens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.4 %, Completeness: 45.7 %, Completeness (bb): 68.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	45.7 % (296 of 648)	45.7 % (296 of 648)
Backbone	68.2 % (152 of 223)	68.2 % (152 of 223)
Sidechain	33.9 % (144 of 425)	33.9 % (144 of 425)
Aromatic	4.4 % (3 of 68)	4.4 % (3 of 68)
Methyl	90.9 % (50 of 55)	90.9 % (50 of 55)

1. barnase

VINTFDGVAD YLQTYHKLPD NYITKSEAQA LGWVASKGNL ADVAPGKSIG GDIFSNREGK LPGKSGRTWR EADINYTSGF RNSDRILYSS DWLIYKTTDA YQTFTKIR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 30 atm, Temperature 298 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	barnase	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium phosphate	natural abundance	30 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

Release date

2009-09-03

Citation

Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations
Wilton, D.J., Kitahara, R., Akasaka, K., Pandya, M.J., Williamson, M.P.
Biophys. J. (2009), 97, 1482-1490, PubMed 19720037 , DOI 10.1016/j.bpj.2009.06.022 , Abstract

Related entities 1. Barnase, : 1 : 5 : 36 : 21 entities Detail

Interaction partners 1. Barnase, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16169_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: bmr16169_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	390		95.4 (chain: 1, length: 108)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 108, Sequence coverage: 95.4%
- Total number of assignments
  - ¹H chemical shifts: 390
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	648	290	44.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	223	149	66.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	425	141	33.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	50	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	68	3	4.4

Keywords barnase, pressure, ribonuclease

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Found 1 Document (0.328 seconds)

BMRB: 16169

Sample

Related entities 1. Barnase, : 1 : 5 : 36 : 21 entities Detail

Interaction partners 1. Barnase, : 1 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail