BMRBj - BMREntryMaster

Found 1 Document (1.14 seconds)

BMRB: 4259

1LNI

Sequential Assignment and Solution Secondary Structure of Doubly Labelled Ribonuclease Sa

Authors

Laurents, D.V., Perez-Canadillas, J., Bruix, M., Santoro, J., Schell, D., Hebert, E.J., Pace, C.NICK., Rico, M.

Assembly

RNAse-SA

Entity

1. RNAse-SA (polymer), 96 monomers, 10575.43 Da Detail

DVSGTVCLSA LPPEATDTLN LIASDGPFPY SQDGVVFQNR ESVLPTQSYG YYHEYTVITP GARTRGTRRI ITGEATQEDY YTGDHYATFS LIDQTC

Formula weight

10575.43 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS96:SG

Source organism

Kitasatospora aureofaciens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 79.4 %, Completeness (bb): 85.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.4 % (838 of 1055)	98.7 % (530 of 537)	50.4 % (212 of 421)	99.0 % (96 of 97)
Backbone	85.6 % (483 of 564)	99.5 % (193 of 194)	71.8 % (201 of 280)	98.9 % (89 of 90)
Sidechain	64.1 % (371 of 579)	98.3 % (337 of 343)	11.8 % (27 of 229)	100.0 % (7 of 7)
Aromatic	52.9 % (54 of 102)	96.1 % (49 of 51)	9.8 % (5 of 51)
Methyl	54.7 % (58 of 106)	100.0 % (53 of 53)	9.4 % (5 of 53)

1. RNAse-SA

DVSGTVCLSA LPPEATDTLN LIASDGPFPY SQDGVVFQNR ESVLPTQSYG YYHEYTVITP GARTRGTRRI ITGEATQEDY YTGDHYATFS LIDQTC

Show sample condition

Sample #1

Temperature 303.2 (±0.1) K

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Temperature 303.2 (±0.1) K

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

Temperature 303.2 (±0.1) K

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Release date

1998-10-29

Citation 1

Sequential assignment and solution secondary structure of doubly labelled ribonuclease Sa
Laurents, D.V., Perez-Canadillas, J., Santoro, J., Rico, M., Schell, D., Hebert, E.J., Pace, C.NICK., Bruix, M.
J. Biomol. NMR (1999), 14, 89-90, PubMed 10382311 , Abstract

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. RNAse-SA, : 1 : 7 : 7 : 12 : 12 entities Detail

Interaction partners 1. RNAse-SA, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 COSY

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

2 NOESY

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

3 TOCSY

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

4 1H-15N TOCSY

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

5 1H-15N NOESY

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

6 HNCA

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

7 HN(CO)CA

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

8 HNCO

Instrument

Model Bruker AMX (600 MHz)

Sample #1

#	Name	Concentration
1	RNAse-SA	1.5 ~ 2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

#	Name	Isotope labeling	Type	Concentration
4	RNAse-SA			1.5 ~ 2.0 mM
5	D2O			100 %

Sample #3

#	Name	Isotope labeling	Concentration
6	RNAse-SA	[U-15N]	1.5 ~ 2.0 mM
7	H2O		90 %
8	D2O		10 %

Sample #4

#	Name	Isotope labeling	Concentration
9	RNAse-SA	[U-15N; 13C]	1.5 ~ 2.0 mM
10	H2O		90 %
11	D2O		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4259_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:7:CYS:SG	1:96:CYS:SG	unknown, CA 56.0 ppm	unknown, CA 56.8 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr4259_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	914		100.0 (chain: 1, length: 96)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 96, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 635
  - ¹³C chemical shifts: 183
  - ¹⁵N chemical shifts: 96
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
52	TYR	HH	10.5
81	TYR	HH	9.28

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	537	529	98.5
¹³C chemical shifts	421	183	43.5
¹⁵N chemical shifts	102	96	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	194	193	99.5
¹³C chemical shifts	192	183	95.3
¹⁵N chemical shifts	90	89	98.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	343	336	98.0
¹³C chemical shifts	229	0	0.0
¹⁵N chemical shifts	12	7	58.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	52	98.1
¹³C chemical shifts	53	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	49	96.1
¹³C chemical shifts	51	0	0.0

Keywords Chemical shift index, NMR assignment, Protein stability, Ribonuclease Sa, Secondary Structure

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.14 seconds)

BMRB: 4259

Sample #1

Sample #2

Sample #3

Related entities 1. RNAse-SA, : 1 : 7 : 7 : 12 : 12 entities Detail

Interaction partners 1. RNAse-SA, : 1 interactors Detail

Experiments performed 8 experiments Detail

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Instrument

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift validation 3 contents Detail