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BMRB: 16355

2KK8

NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3449A

Authors

Mani, R., Gurla, S.V.T., Shastry, R., Ciccosanti, C., Foote, E., Jiang, M., Xiao, R., Nair, R., Everett, J., Huang, Y., Acton, T., Rost, B., Montelione, G.

Assembly

AR3449A

Entity

1. AR3449A (polymer, Thiol state: all free), 84 monomers, 9663.890 Da Detail

MGHHHHHHSH MKFLVENLNG SSFELEVDYR DTLLVVKQKI ERSQHIPVSK QTLIVDGIVI LREDLTVEQC QIVPTSDIQL EVSS

Formula weight

9663.89 Da

Source organism

Arabidopsis thaliana

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 87.9 %, Completeness (bb): 90.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.9 % (874 of 994)	86.4 % (444 of 514)	89.0 % (347 of 390)	92.2 % (83 of 90)
Backbone	90.0 % (450 of 500)	89.9 % (152 of 169)	89.6 % (223 of 249)	91.5 % (75 of 82)
Sidechain	86.6 % (498 of 575)	84.6 % (292 of 345)	89.2 % (198 of 222)	100.0 % (8 of 8)
Aromatic	51.7 % (31 of 60)	50.0 % (15 of 30)	53.3 % (16 of 30)
Methyl	97.3 % (109 of 112)	94.6 % (53 of 56)	100.0 % (56 of 56)

1. AR3449A

MGHHHHHHSH MKFLVENLNG SSFELEVDYR DTLLVVKQKI ERSQHIPVSK QTLIVDGIVI LREDLTVEQC QIVPTSDIQL EVSS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.11mM

#	Name	Isotope labeling	Concentration
1	AR3449A	[U-100% 13C; U-100% 15N]	1.11 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium azide	natural abundance	0.02 %
5	calcium chloride	natural abundance	5 mM
6	sodium chloride	natural abundance	10 mM
7	MES	natural abundance	20 mM
8	DDT	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.22mM, 5%D2O

#	Name	Isotope labeling	Concentration
9	AR3449A	[U-10% 13C; U-100% 15N]	1.22 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	sodium azide	natural abundance	0.02 %
13	calcium chloride	natural abundance	5 mM
14	sodium chloride	natural abundance	10 mM
15	MES	natural abundance	20 mM
16	DDT	natural abundance	10 mM

LACS Plot; CA

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

Referencing offset: 0.23 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.23 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.3 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KK8, Strand ID: A Detail

Release date

2012-02-21

Citation

NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium Target AR3449A
Mani, R., Gurla, S.V.T., Shastry, R., Ciccosanti, C., Foote, E., Jiang, M., Xiao, R., Nair, R., Everett, J., Huang, Y., Acton, T., Rost, B., Montelione, G.
Not known

Related entities 1. AR3449A, : 1 : 1 : 16 entities Detail

Experiments performed 19 experiments Detail

1 3D 1H-15N NOESY