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BMRB: 16585

2KQ3

Solution structure of SNase140

Authors

Wang, M., Feng, Y., Yao, H., Wang, J.

Assembly

SNase140

Entity

1. SNase140 (polymer, Thiol state: not present), 140 monomers, 15883.27 Da Detail

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKPNNT HEQLLRKSEA QAKKEKLNIW

Formula weight

15883.27 Da

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 91.5 %, Completeness (bb): 97.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.5 % (1558 of 1702)	93.2 % (837 of 898)	88.8 % (585 of 659)	93.8 % (136 of 145)
Backbone	97.8 % (810 of 828)	98.6 % (279 of 283)	97.8 % (402 of 411)	96.3 % (129 of 134)
Sidechain	87.3 % (877 of 1005)	90.7 % (558 of 615)	82.3 % (312 of 379)	63.6 % (7 of 11)
Aromatic	49.1 % (54 of 110)	90.9 % (50 of 55)	5.6 % (3 of 54)	100.0 % (1 of 1)
Methyl	96.7 % (145 of 150)	100.0 % (75 of 75)	93.3 % (70 of 75)

1. SNase140

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKPNNT HEQLLRKSEA QAKKEKLNIW

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 300 K, pH 5.0

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-2H]	50 mM
2	potassium chloride	natural abundance	250 mM
3	EDTA	natural abundance	1 mM
4	sodium azide	natural abundance	0.02 %
5	DSS	natural abundance	0.2 mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: 0.13 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.13 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.2 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KQ3, Strand ID: A Detail

Release date

2010-05-18

Citation

Importance of the C-terminal loop L137-S141 for the folding and folding stability of staphylococcal nuclease
Wang, M., Feng, Y., Yao, H., Wang, J.
Biochemistry (2010), 49, 4318-4326, PubMed 20415411 , DOI 10.1021/bi100118k , Abstract

Related entities 1. SNase140, : 1 : 9 : 44 : 79 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC