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BMRB: 30246

5UTG

Red abalone lysin F104A

Authors

Wilburn, D.B., Tuttle, L.M.

Assembly

Egg-lysin

Entity

1. Egg-lysin (polymer, Thiol state: not present), 135 monomers, 16062.71 Da Detail

GRSWHYVEPK FLNKAFEVAL KVQIIAGFDR GLVKWLRVHG RTLSTVQKKA LYFVNRRYMQ THWANYMLWI NKKIDALGRT PVVGDYTRLG AEIGRRIDMA YFYDALKDKN MIPKYLPYME EINRMRPADV PVKYM

Formula weight

16062.71 Da

Source organism

Haliotis rufescens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.3 %, Completeness: 68.7 %, Completeness (bb): 89.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.7 % (1167 of 1698)	64.5 % (574 of 890)	70.4 % (469 of 666)	87.3 % (124 of 142)
Backbone	89.1 % (711 of 798)	86.8 % (236 of 272)	90.2 % (358 of 397)	90.7 % (117 of 129)
Sidechain	55.8 % (573 of 1027)	54.7 % (338 of 618)	57.8 % (229 of 396)	46.2 % (6 of 13)
Aromatic	33.2 % (63 of 190)	42.1 % (40 of 95)	20.9 % (19 of 91)	100.0 % (4 of 4)
Methyl	82.0 % (123 of 150)	82.7 % (62 of 75)	81.3 % (61 of 75)

1. entity 1

GRSWHYVEPK FLNKAFEVAL KVQIIAGFDR GLVKWLRVHG RTLSTVQKKA LYFVNRRYMQ THWANYMLWI NKKIDALGRT PVVGDYTRLG AEIGRRIDMA YFYDALKDKN MIPKYLPYME EINRMRPADV PVKYM

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 300 uM [U-15N] lysin, 200 mM natural abundunce sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O.

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 300 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O.

#	Name	Isotope labeling	Concentration
4	lysin	[U-13C; U-15N]	300 uM
5	sodium chloride	natural abundance	200 mM
6	sodium phosphate	natural abundance	10 mM

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 300 uM [U-15N] lysin, 5 w/v c12e6/hexanol, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O.

#	Name	Isotope labeling	Concentration
7	c12e6/hexanol	natural abundance	5 w/v
8	lysin	[U-15N]	300 uM
9	sodium chloride	natural abundance	200 mM
10	sodium phosphate	natural abundance	10 mM

Sample #4

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM Tris, 93% H2O/7% D2O.

#	Name	Isotope labeling	Concentration
11	Tris	natural abundance	10 mM
12	lysin	[U-13C; U-15N]	200 uM
13	sodium chloride	natural abundance	200 mM

LACS Plot; CA

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

Referencing offset: -0.21 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.21 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.0 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.66 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5UTG, Strand ID: A Detail

Release date

2017-05-09

Citation

Solution structure of sperm lysin yields novel insights into molecular dynamics of rapid protein evolution
Wilburn, D.B., Tuttle, L.M., Klevit, R.E., Swanson, W.J.
Proc. Natl. Acad. Sci. U. S. A. (2018), 115, 1310-1315, PubMed 29348201 , DOI 10.1073/pnas.1709061115 , Abstract

Related entities 1. Egg-lysin, : 1 : 11 : 8 entities Detail

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 300 uM [U-15N] lysin, 200 mM natural abundunce sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O.

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

2 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

3 3D 1H-15N TOCSY

Instrument

Bruker AVANCE - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

4 3D 1H-15N hetNOE

Instrument

Bruker AVANCE - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

5 2D 1H-15N T1

Instrument

Bruker AVANCE - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

6 2D 1H-15N T2

Instrument

Bruker AVANCE - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	lysin	[U-15N]	300 uM
2	sodium chloride	natural abundunce	200 mM
3	sodium phosphate	natural abundance	10 mM

7 3D HNHA

Instrument

Bruker AVANCE - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 300 uM [U-13C; U-15N] lysin, 200 mM sodium chloride, 10 mM sodium phosphate, 93% H2O/7% D2O.

#	Name	Isotope labeling	Concentration
4	lysin	[U-13C; U-15N]	300 uM
5	sodium chloride	natural abundance	200 mM
6	sodium phosphate	natural abundance	10 mM

8 3D HNCA