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BMRB: 15232

2PQE

proline-free mutant of SNase V8

Authors

Shan, L.

Assembly

v8pf

Entity

1. v8pf (polymer, Thiol state: not present), 149 monomers, 16646.85 Da Detail

ATSTKKLHKE AATLIKAIDG DTVKLMYKGQ AMTFRLLLVD TAETKHTKKG VEKYGAEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKGNNT HEQLLRKSEA QAKKEKLNIW SEDNADSGQ

Formula weight

16646.85 Da

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.6 %, Completeness: 67.2 %, Completeness (bb): 74.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	67.2 % (1178 of 1754)	69.0 % (633 of 917)	60.9 % (411 of 675)	82.7 % (134 of 162)
Backbone	74.9 % (670 of 894)	88.0 % (272 of 309)	60.8 % (265 of 436)	89.3 % (133 of 149)
Sidechain	63.1 % (630 of 998)	59.5 % (362 of 608)	70.8 % (267 of 377)	7.7 % (1 of 13)
Aromatic	27.3 % (30 of 110)	47.3 % (26 of 55)	7.4 % (4 of 54)	0.0 % (0 of 1)
Methyl	66.7 % (108 of 162)	66.7 % (54 of 81)	66.7 % (54 of 81)

1. v8pf

ATSTKKLHKE AATLIKAIDG DTVKLMYKGQ AMTFRLLLVD TAETKHTKKG VEKYGAEASA FTKKMVENAK KIEVEFDKGQ RTDKYGRGLA YIYADGKMVN EALVRQGLAK VAYVYKGNNT HEQLLRKSEA QAKKEKLNIW SEDNADSGQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 5.0, Details 1 mM proteins, 100 mM KCl and 50 mM deuterated acetate buffer, pH 5.0

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1 mM
2	KCL		100 mM
3	D2O		10 %
4	H2O	natural abundance	90 %
5	acetate		59 mM

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: 0.05 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: 0.05 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: -0.08 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2PQE, Strand ID: A Detail

Release date

2007-10-28

Citation

Restricted backbone conformational and motional flexibilities of loops containing peptidyl-proline bonds dominate the enzyme activity of staphylococcal nuclease
Shan, L., Tong, Y., Xie, T., Wang, M., Wang, J.
Biochemistry (2007), 46, 11504-11513, PubMed 17887731 , DOI 10.1021/bi7009794 , Abstract

Related entities 1. v8pf, : 1 : 49 : 74 entities Detail

Experiments performed 6 experiments Detail

1 3D HNCACB