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BMRB: 5536

1RKN

1H, 13C, and 15N Chemical Shift Assignments for G88W110 fragment of Staphylococcal Nuclease

Authors

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

Assembly

G88W110 fragment of Staphylococcal Nuclease

Entity

1. G88W110 fragment of Staphylococcal Nuclease (polymer, Thiol state: not present), 110 monomers, 12430.36 Da Detail

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRWLA YIYADGKMVN EALVRQGLAK

Formula weight

12430.36 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.3 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.3 % (1094 of 1330)	75.7 % (530 of 700)	88.6 % (460 of 519)	93.7 % (104 of 111)
Backbone	96.8 % (629 of 650)	96.0 % (214 of 223)	97.2 % (313 of 322)	97.1 % (102 of 105)
Sidechain	72.3 % (565 of 782)	66.2 % (316 of 477)	82.6 % (247 of 299)	33.3 % (2 of 6)
Aromatic	37.8 % (34 of 90)	64.4 % (29 of 45)	9.1 % (4 of 44)	100.0 % (1 of 1)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. Staphylococcal nuclease

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRWLA YIYADGKMVN EALVRQGLAK

Show sample condition

Sample

Temperature 305 (±1) K, pH 4.9 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Staphylococcal nuclease	[U-95% 13C; U-90% 15N]		2.0 ~ 2.5 mM

LACS Plot; CA

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

Referencing offset: 0.01 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
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.01 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
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.2 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 12 models in PDB: 1RKN, Strand ID: A Detail

Release date

2003-12-07

Citation 1

Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Xie, T., Liu, D., Feng, Y., Shan, L., Wang, J.
Biophys. J. (2007), 92, 2090-2107, PubMed 17172296 , DOI 10.1529/biophysj.106.092155 , Abstract

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Citation 2

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: , Abstract

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Related entities 1. G88W110 fragment of Staphylococcal Nuclease, : 1 : 76 : 41 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-1H DQF-COSY