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BMRB: 16366

2KKN

Solution NMR structure of Themotoga maritima protein TM1076: Northeast Structural Genomics Consortium target VT57

Authors

Cort, J.R., Yee, A., Garcia, M., Isern, N.G., Arrowsmith, C.H., Kennedy, M.A.

Assembly

TM1076

Entity

1. TM1076 (polymer, Thiol state: all free), 314 monomers, 35146.00 Da Detail

VKRFLLISDS HVPVRMASLP DEILNSLKEY DGVIGLGDYV DLDTVILLEK FSKEFYGVHG NMDYPDVKEH LPFSKVLLVE GVTIGMCHGW GAPWDLKDRL LKVFNEKPQV ILFGHTHEPE DTVKAGVRFL NPGSLAEGSY AVLELDGGEV RFELKTLVKR FLLISDSHVP VRMASLPDEI LNSLKEYDGV IGLGDYVDLD TVILLEKFSK EFYGVHGNMD YPDVKEHLPF SKVLLVEGVT IGMCHGWGAP WDLKDRLLKV FNEKPQVILF GHTHEPEDTV KAGVRFLNPG SLAEGSYAVL ELDGGEVRFE LKTL

Formula weight

35146.0 Da

Source organism

Thermotoga maritima

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 64.6 %, Completeness: 53.6 %, Completeness (bb): 58.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	53.6 % (1983 of 3702)	52.3 % (999 of 1910)	53.8 % (796 of 1480)	60.3 % (188 of 312)
Backbone	58.7 % (1088 of 1852)	58.1 % (373 of 642)	58.3 % (532 of 912)	61.4 % (183 of 298)
Sidechain	50.0 % (1066 of 2134)	49.4 % (626 of 1268)	51.1 % (435 of 852)	35.7 % (5 of 14)
Aromatic	22.6 % (76 of 336)	23.2 % (39 of 168)	22.0 % (36 of 164)	25.0 % (1 of 4)
Methyl	63.0 % (252 of 400)	63.5 % (127 of 200)	62.5 % (125 of 200)

1. TM1076

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 313 K, pH 7

#	Name	Isotope labeling	Concentration
1	TM1076	[U-99% 15N, 7% 13C, biosynthetically directed labeling of LV methyls]	0.6 mM
2	sodium chloride	natural abundance	300 mM
3	DTT	natural abundance	10 mM
4	benzamidine	natural abundance	1 mM
5	sodium azide	natural abundance	0.01 %
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 313 K, pH 7

#	Name	Isotope labeling	Concentration
8	TM1076	[U-99% 13C; U-99% 15N]	0.6 mM
9	sodium chloride	natural abundance	300 mM
10	DTT	natural abundance	10 mM
11	benzamidine	natural abundance	1 mM
12	sodium azide	natural abundance	0.01 %
13	H2O	natural abundance	93 %
14	D2O	natural abundance	7 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 313 K, pH 7

#	Name	Isotope labeling	Concentration
15	TM1076	[U-99% 13C; U-99% 15N]	0.6 mM
16	sodium chloride	natural abundance	300 mM
17	DTT	natural abundance	10 mM
18	benzamidine	natural abundance	1 mM
19	sodium azide	natural abundance	0.01 %
20	D2O	natural abundance	100 %

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: -0.43 ppm, Outliers: 2 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: -0.43 ppm, Outliers: 2 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: 0.0 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.3 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2012-08-02

Citation

solution NMR structure of Themotoga maritima protein TM1076
Cort, J.R., Yee, A., Garcia, M., Isern, N.G., Arrowsmith, C.H., Kennedy, M.A.
Not known

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC