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BMRB: 17603

2LC9

Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant

Authors

Bouvignies, G., Vallurupalli, P., Hansen, D., Correia, B., Lange, O., Bah, A., Vernon, R.M., Dahlquist, F.W., Baker, D., Kay, L.E.

Assembly

T4 L99A/G113A/R119P

Entity

1. T4 L99A/G113A/R119P (polymer, Thiol state: not present), 164 monomers, 18514.00 Da Detail

MNIFEMLRID EGLRLKIYKD TEGYYTIGIG HLLTKSPSLN AAKSELDKAI GRNTNGVITK DEAEKLFNQD VDAAVRGILR NAKLKPVYDS LDAVRRAAAI NMVFQMGETG VAAFTNSLPM LQQKRWDEAA VNLAKSRWYN QTPNRAKRVI TTFRTGTWDA YKNL

Formula weight

18514.0 Da

Source organism

Escherichia virus T4

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 53.5 %, Completeness (bb): 99.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	53.5 % (1035 of 1933)	38.2 % (384 of 1006)	65.7 % (491 of 747)	88.9 % (160 of 180)
Backbone	99.0 % (966 of 976)	98.5 % (329 of 334)	99.2 % (478 of 482)	99.4 % (159 of 160)
Sidechain	20.1 % (223 of 1111)	8.2 % (55 of 672)	39.9 % (167 of 419)	5.0 % (1 of 20)
Aromatic	5.8 % (8 of 138)	8.7 % (6 of 69)	3.0 % (2 of 66)	0.0 % (0 of 3)
Methyl	14.8 % (29 of 196)	7.1 % (7 of 98)	22.4 % (22 of 98)

1. T4 L99A/G113A/R119P

MNIFEMLRID EGLRLKIYKD TEGYYTIGIG HLLTKSPSLN AAKSELDKAI GRNTNGVITK DEAEKLFNQD VDAAVRGILR NAKLKPVYDS LDAVRRAAAI NMVFQMGETG VAAFTNSLPM LQQKRWDEAA VNLAKSRWYN QTPNRAKRVI TTFRTGTWDA YKNL

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 307 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	T4 L99A/G113A/R119P	[U-100% 13C; U-100% 15N]	1.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	25 mM
5	EDTA	natural abundance	2 mM
6	NaN3	natural abundance	2 mM
7	sodium phosphate	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.687 ppm	internal	indirect	0.2514495
¹H	water	protons	4.687 ppm	internal	direct	1.0
¹⁵N	water	protons	4.687 ppm	internal	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.687 ppm	internal	indirect	0.2514495
¹H	water	protons	4.687 ppm	internal	direct	1.0
¹⁵N	water	protons	4.687 ppm	internal	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.687 ppm	internal	indirect	0.2514495
¹H	water	protons	4.687 ppm	internal	direct	1.0
¹⁵N	water	protons	4.687 ppm	internal	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.687 ppm	internal	indirect	0.2514495
¹H	water	protons	4.687 ppm	internal	direct	1.0
¹⁵N	water	protons	4.687 ppm	internal	indirect	0.1013291

Referencing offset: -0.31 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LC9, Strand ID: A Detail

Release date

2011-04-27

Citation

Solution structure of a minor and transiently formed state of a T4 lysozyme mutant
Bouvignies, G., Vallurupalli, P., Hansen, D., Correia, B.E., Lange, O., Bah, A., Vernon, R.M., Dahlquist, F.W., Baker, D., Kay, L.E.
Nature (2011), 477, 111-114, PubMed 21857680 , DOI 10.1038/nature10349 , Abstract

Related entities 1. T4 L99A/G113A/R119P, : 1 : 103 : 9 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC