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BMRB: 16376

2KKZ

Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R].

Authors

Aramini, J.M., Ma, L., Lee, H., Zhao, L., Cunningham, K., Ciccosanti, C., Janjua, H., Fang, Y., Xiao, R., Krug, R.M., Montelione, G.T.

Assembly

OR8w187r

Entity

1. OR8w187r (polymer, Thiol state: all free), 140 monomers, 15913.16 Da Detail

MPASRYITDM TIEELSRDWF MLMPKQKVEG PLCIRIDQAI MDKNIMLKAN FSVIFDRLET LILLRAFTEE GAIVGEISPL PSFPGHTIED VKNAIGVLIG GLERNDNTVR VSKTLQRFAW GSSNENGRPP LTLEHHHHHH

Formula weight

15913.16 Da

Source organism

Alphainfluenzavirus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 93.7 %, Completeness (bb): 94.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.7 % (1553 of 1657)	94.1 % (812 of 863)	93.1 % (605 of 650)	94.4 % (136 of 144)
Backbone	94.1 % (775 of 824)	95.4 % (268 of 281)	93.2 % (383 of 411)	93.9 % (124 of 132)
Sidechain	93.4 % (900 of 964)	93.5 % (544 of 582)	93.0 % (344 of 370)	100.0 % (12 of 12)
Aromatic	77.5 % (93 of 120)	78.3 % (47 of 60)	75.9 % (44 of 58)	100.0 % (2 of 2)
Methyl	100.0 % (166 of 166)	100.0 % (83 of 83)	100.0 % (83 of 83)

1. OR8w187r

MPASRYITDM TIEELSRDWF MLMPKQKVEG PLCIRIDQAI MDKNIMLKAN FSVIFDRLET LILLRAFTEE GAIVGEISPL PSFPGHTIED VKNAIGVLIG GLERNDNTVR VSKTLQRFAW GSSNENGRPP LTLEHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 300 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	OR8w187r	[U-100% 13C; U-100% 15N]	0.71 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	arginine	natural abundance	50 mM
5	glutamic acid	natural abundance	50 mM
6	glycerol	natural abundance	1 %
7	DSS	natural abundance	50 uM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 300 K, pH 6.9

#	Name	Isotope labeling	Concentration
8	OR8w187r	[U-5% 13C; U-100% 15N]	1.2 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	arginine	natural abundance	50 mM
12	glutamic acid	natural abundance	50 mM
13	glycerol	natural abundance	1 %
14	DSS	natural abundance	50 uM

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: -0.17 ppm, Outliers: 2 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: -0.17 ppm, Outliers: 2 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: -0.11 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: 0.29 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-07-05

Citation

Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R]
Aramini, J.M., Ma, L., Lee, H., Zhao, L., Cunningham, K., Ciccosanti, C., Janjua, H., Fang, Y., Xiao, R., Krug, R.M., Montelione, G.T.
Not known

Related entities 1. OR8w187r, : 1 : 10 : 124 entities Detail

Interaction partners 1. OR8w187r, : 40 interactors Detail

More details for 40 interactors identified by 6 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC