BMRBj - BMREntryMaster

Found 1 Document (1.285 seconds)

BMRB: 6250

1JOK

Backbone Chemical Shift Assignments for G88W121 fragment of Staphylococcal Nuclease

Authors

Feng, Y., Liu, D., Wang, J.

Assembly

G88W121

Entity

1. G88W121 (polymer, Thiol state: not present), 121 monomers, 13717.78 Da Detail

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRWLA YIYADGKMVN EALVRQGLAK VAYVYKPNNT H

Formula weight

13717.78 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 84.3 %, Completeness: 44.0 %, Completeness (bb): 70.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.0 % (644 of 1463)	43.5 % (334 of 768)	36.4 % (208 of 572)	82.9 % (102 of 123)
Backbone	70.2 % (501 of 714)	81.6 % (199 of 244)	56.9 % (202 of 355)	87.0 % (100 of 115)
Sidechain	27.0 % (233 of 862)	25.8 % (135 of 524)	29.1 % (96 of 330)	25.0 % (2 of 8)
Aromatic	16.4 % (18 of 110)	21.8 % (12 of 55)	9.3 % (5 of 54)	100.0 % (1 of 1)
Methyl	16.9 % (22 of 130)	21.5 % (14 of 65)	12.3 % (8 of 65)

1. G88W121

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRWLA YIYADGKMVN EALVRQGLAK VAYVYKPNNT H

Show sample condition

Sample

Temperature 298 (±0.2) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	G88W121	[U-95% 13C; U-95% 15N]	1 mM
2	deuterated acetate	[U-99% 2H]	50 mM
3	DSS		50 uM
4	NaN3		0.02 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Release date

2004-08-02

Citation

Native-like partially folded conformations and folding process revealed in the N-terminal large fragments of staphylococcal nuclease: a study by NMR spectroscopy
Feng, Y., Liu, D., Wang, J.
J. Mol. Biol. (2003), 330, 821-837, PubMed 12850150 , DOI 10.1016/s0022-2836(03)00660-0 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 6251 released on 2004-08-02
    Title Backbone Chemical Shift Assignments for V66W121 fragment of Staphylococcal Nuclease
  BMRB: 5536 released on 2003-12-07
    Title 1H, 13C, and 15N Chemical Shift Assignments for G88W110 fragment of Staphylococcal Nuclease

Related entities 1. G88W121, : 1 : 65 : 54 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6250_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: bmr6250_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	590		81.0 (chain: 1, length: 121)
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: 121, Sequence coverage: 81.0%
- Total number of assignments
  - ¹H chemical shifts: 306
  - ¹⁵N chemical shifts: 99
  - ¹³C chemical shifts: 185
- 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	244	195	79.9
¹⁵N chemical shifts	115	98	85.2
¹³C chemical shifts	242	97	40.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	69	9	13.0
¹³C chemical shifts	69	9	13.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	768	288	37.5
¹⁵N chemical shifts	127	99	78.0
¹³C chemical shifts	572	185	32.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	524	93	17.7
¹⁵N chemical shifts	12	1	8.3
¹³C chemical shifts	330	88	26.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	1	1.8
¹⁵N chemical shifts	1	1	100.0
¹³C chemical shifts	54	0	0.0

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Found 1 Document (1.285 seconds)

BMRB: 6250

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. G88W121, : 1 : 65 : 54 entities Detail

Experiments performed 5 experiments Detail

Instrument

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Chemical shift validation 3 contents Detail