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BMRB: 18013

2LKV

Staphylococcal Nuclease PHS variant

Authors

Matzapetakis, M., Pais, T.M., Lamosa, P., Turner, D.L., Santos, H.

Assembly

MS1

Entity

1. MS1 (polymer, Thiol state: not present), 149 monomers, 16731.01 Da Detail

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKGNNT HEQLLRKAEA QAKKEKLNIW SEDNADSGQ

Formula weight

16731.01 Da

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.3 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.3 % (1693 of 1776)	94.8 % (886 of 935)	95.5 % (653 of 684)	98.1 % (154 of 157)
Backbone	97.1 % (858 of 884)	98.0 % (298 of 304)	96.1 % (419 of 436)	97.9 % (141 of 144)
Sidechain	94.5 % (973 of 1030)	93.2 % (588 of 631)	96.4 % (372 of 386)	100.0 % (13 of 13)
Aromatic	80.0 % (88 of 110)	81.8 % (45 of 55)	77.8 % (42 of 54)	100.0 % (1 of 1)
Methyl	97.4 % (150 of 154)	96.1 % (74 of 77)	98.7 % (76 of 77)

1. SNase PHS

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKGNNT HEQLLRKAEA QAKKEKLNIW SEDNADSGQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 5.500

#	Name	Isotope labeling	Type	Concentration
1	SNase PHS	[U-13C; U-15N]		1.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	solvent	4.705 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
³¹P	DSS	methyl protons	0.0 ppm	na	indirect	0.4048086

Referencing offset: 0.0 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	solvent	4.705 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
³¹P	DSS	methyl protons	0.0 ppm	na	indirect	0.4048086

Referencing offset: 0.0 ppm, Outliers: 4 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	solvent	4.705 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
³¹P	DSS	methyl protons	0.0 ppm	na	indirect	0.4048086

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	solvent	4.705 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
³¹P	DSS	methyl protons	0.0 ppm	na	indirect	0.4048086

Referencing offset: 0.17 ppm, Outliers: 8 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LKV, Strand ID: A Detail

Release date

2012-06-04

Citation

Mannosylglycerate stabilizes staphylococcal nuclease with restriction of slow β-sheet motions
Pais, T.M., Lamosa, P., Matzapetakis, M., Turner, D.L., Santos, H.
Protein Sci. (2012), 21, 1126-1137, PubMed 22619184 , DOI 10.1002/pro.2100 , Abstract