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BMRB: 16267

2KI8

Solution NMR structure of tungsten formylmethanofuran dehydrogenase subunit D from Archaeoglobus fulgidus, Northeast Structural Genomics Consortium target AtT7

Authors

Eletsky, A., Wu, Y., Yee, A., Fares, C., Lee, H., Prestegard, J.H., Arrowsmith, C.H., Szyperski, T.

Assembly

tungsten formylmethanofuran dehydrogenase subunit D

Entity

1. tungsten formylmethanofuran dehydrogenase subunit D (polymer, Thiol state: not present), 146 monomers, 16147.97 Da Detail

MGSSHHHHHH SSGRENLYFQ GHMLEVEVIS GRTLNQGATV EEKLTEEYFN AVNYAEINEE DWNALGLQEG DRVKVKTEFG EVVVFAKKGD VPKGMIFIPM GPYANMVIDP STDGTGMPQF KGVKGTVEKT DEKVLSVKEL LEAIGS

Formula weight

16147.97 Da

Source organism

Archaeoglobus fulgidus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 91.6 %, Completeness (bb): 90.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.6 % (1529 of 1670)	91.3 % (790 of 865)	91.7 % (598 of 652)	92.2 % (141 of 153)
Backbone	90.8 % (786 of 866)	89.8 % (272 of 303)	91.2 % (385 of 422)	91.5 % (129 of 141)
Sidechain	92.3 % (862 of 934)	92.2 % (518 of 562)	92.2 % (332 of 360)	100.0 % (12 of 12)
Aromatic	78.8 % (104 of 132)	78.8 % (52 of 66)	78.5 % (51 of 65)	100.0 % (1 of 1)
Methyl	98.0 % (147 of 150)	97.3 % (73 of 75)	98.7 % (74 of 75)

1. AtT7 protein

MGSSHHHHHH SSGRENLYFQ GHMLEVEVIS GRTLNQGATV EEKLTEEYFN AVNYAEINEE DWNALGLQEG DRVKVKTEFG EVVVFAKKGD VPKGMIFIPM GPYANMVIDP STDGTGMPQF KGVKGTVEKT DEKVLSVKEL LEAIGS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	AtT7 protein	[U-100% 13C; U-100% 15N]	0.6 mM
2	TRIS	natural abundance	10 mM
3	sodium chloride	natural abundance	300 mM
4	benzamidine	natural abundance	1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	AtT7 protein	[U-7% 13C; U-100% 15N]	0.6 mM
8	TRIS	natural abundance	10 mM
9	sodium chloride	natural abundance	300 mM
10	benzamidine	natural abundance	1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #3

Solvent system 86% H2O/14% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
13	AtT7 protein	[U-7% 13C; U-100% 15N]	0.4 mM
14	TRIS	natural abundance	6.6 mM
15	sodium chloride	natural abundance	200 mM
16	benzamidine	natural abundance	0.7 mM
17	Pf1 phage	natural abundance	13.25 g/L
18	H2O	natural abundance	86 %
19	D2O	natural abundance	14 %

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: -0.13 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: -0.13 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: -0.05 ppm, Outliers: 1 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: 0.12 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KI8, Strand ID: A Detail

Release date

2009-04-27

Citation

Solution NMR structure of tungsten formylmethanofuran dehydrogenase subunit D from Archaeoglobus fulgidus
Eletsky, A., Wu, Y., Yee, A., Fares, C., Lee, H., Prestegard, J.H., Arrowsmith, C.H., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. tungsten formylmethanofuran dehydrogenase subunit D, : 1 : 5 entities Detail

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC