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BMRB: 16578

2KQ2

Solution NMR structure of the apo form of a ribonuclease H domain of protein DSY1790 from Desulfitobacterium hafniense, Northeast Structural Genomics target DhR1A.

Authors

Mills, J.L., Eletsky, A., Hua, J., Belote, R.L., Buchwald, W.A., Ciccosanti, C., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Szyperski, T.

Assembly

DSY1790

Entity

1. DSY1790 (polymer, Thiol state: not present), 147 monomers, 16665.40 Da Detail

MDDRTEYDVY TDGSYVNGQY AWAYAFVKDG KVHYEDADVG KNPAAATMRN VAGEIAAALY AVKKASQLGV KIRILHDYAG IAFWATGEWK AKNEFTQAYA KLMNQYRGIY SFEKVKAHSG NEFNDYVDMK AKSALGIRDL EHHHHHH

Formula weight

16665.4 Da

Source organism

Desulfitobacterium hafniense

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.8 %, Completeness: 75.1 %, Completeness (bb): 75.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.1 % (1278 of 1702)	82.5 % (721 of 874)	63.3 % (423 of 668)	83.7 % (134 of 160)
Backbone	75.1 % (661 of 880)	87.5 % (266 of 304)	62.1 % (267 of 430)	87.7 % (128 of 146)
Sidechain	76.5 % (733 of 958)	79.8 % (455 of 570)	72.7 % (272 of 374)	42.9 % (6 of 14)
Aromatic	61.9 % (135 of 218)	76.1 % (83 of 109)	46.2 % (49 of 106)	100.0 % (3 of 3)
Methyl	91.5 % (130 of 142)	91.5 % (65 of 71)	91.5 % (65 of 71)

1. DSY1790

MDDRTEYDVY TDGSYVNGQY AWAYAFVKDG KVHYEDADVG KNPAAATMRN VAGEIAAALY AVKKASQLGV KIRILHDYAG IAFWATGEWK AKNEFTQAYA KLMNQYRGIY SFEKVKAHSG NEFNDYVDMK AKSALGIRDL EHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DhR1A	[U-99% 13C; U-99% 15N]	0.89 mM
2	D2O	[U-2H]	10 v/v
3	H2O	natural abundance	90 v/v
4	MES	natural abundance	20 mM
5	sodium chloride	natural abundance	200 mM
6	calcium chloride	natural abundance	5 mM
7	DTT	natural abundance	10 mM
8	DSS	natural abundance	50 uM
9	sodium azide	natural abundance	0.02 w/v

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	DhR1A	[U-5% 13C; U-99% 15N]	0.943 mM
11	D2O	[U-2H]	10 v/v
12	H2O	natural abundance	90 v/v
13	MES	natural abundance	20 mM
14	sodium chloride	natural abundance	200 mM
15	calcium chloride	natural abundance	5 mM
16	DTT	natural abundance	10 mM
17	DSS	natural abundance	50 uM
18	sodium azide	natural abundance	0.02 w/v

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: 0.08 ppm, Outliers: 1 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: 0.08 ppm, Outliers: 1 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: 0.05 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KQ2, Strand ID: A Detail

Release date

2012-08-02

Citation

Solution NMR structure of the apo form of a ribonuclease H domain of protein DSY1790 from Desulfitobacterium hafniense, Northeast Structural Genomics target DhR1A
Mills, J.L., Eletsky, A., Hua, J., Belote, R.L., Buchwald, W.A., Ciccosanti, C., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Szyperski, T.
Not known

Related entities 1. DSY1790, : 1 : 1 : 16 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC