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BMRB: 16807

2KW4

Solution NMR Structure of the Holo Form of a Ribonuclease H domain from D.hafniense, Northeast Structural Genomics Consortium Target Target DhR1A

Authors

Mills, J., Eletsky, A., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Szyperski, T.

Assembly

DhR1A

Entity

1. DhR1A (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

2. MG (non-polymer), 24.305 Da

Total weight

16689.705 Da

Max. entity weight

16665.4 Da

Source organism

Desulfitobacterium hafniense

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 87.1 %, Completeness: 72.6 %, Completeness (bb): 72.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.6 % (1235 of 1702)	79.9 % (698 of 874)	59.7 % (399 of 668)	86.3 % (138 of 160)
Backbone	72.7 % (640 of 880)	85.2 % (259 of 304)	59.3 % (255 of 430)	86.3 % (126 of 146)
Sidechain	73.9 % (708 of 958)	77.0 % (439 of 570)	68.7 % (257 of 374)	85.7 % (12 of 14)
Aromatic	42.7 % (93 of 218)	54.1 % (59 of 109)	29.2 % (31 of 106)	100.0 % (3 of 3)
Methyl	94.4 % (134 of 142)	94.4 % (67 of 71)	94.4 % (67 of 71)

1. DhR1A

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

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DhR1A	[U-100% 13C; U-100% 15N]	0.89 mM
2	MAGNESIUM Chloride	natural abundance	150 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	calcium chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM
7	DSS	natural abundance	50 uM
8	sodium azide	natural abundance	0.02 %
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

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: 0.06 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: 0.06 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: 0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KW4, Strand ID: A Detail

Release date

2010-04-13

Related entities 1. DhR1A, : 1 : 1 : 16 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC