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BMRB: 16093

2KCQ

Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855). Northeast Structural Genomics Consortium target SrR106

Authors

Wu, Y., Eletsky, A., Zhao, L., Hua, J., Sukumaran, D., Jiang, M., Foote, E.L., Xiao, R., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., SZYPERSKI, T.

Assembly

SRU 2040

Entity

1. SRU 2040 (polymer, Thiol state: all free), 153 monomers, 17061.38 Da Detail

MKTTPDILDQ IRVHGADAYP EEGCGFLLGT VTDDGDNRVA ALHRATNRRS EQRTRRYELT ADDYRAADAA AQEQGLDVVG VYHSHPDHPA RPSATDLEEA TFPGFTYVIV SVRDGAPEAL TAWALAPDRS EFHREDIVRP DPEAPLEHHH HHH

Formula weight

17061.38 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.2 %, Completeness: 81.6 %, Completeness (bb): 78.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.6 % (1365 of 1673)	87.5 % (753 of 861)	71.8 % (476 of 663)	91.3 % (136 of 149)
Backbone	78.7 % (705 of 896)	89.5 % (272 of 304)	67.6 % (304 of 450)	90.8 % (129 of 142)
Sidechain	86.0 % (792 of 921)	86.4 % (481 of 557)	85.2 % (304 of 357)	100.0 % (7 of 7)
Aromatic	68.6 % (96 of 140)	80.0 % (56 of 70)	56.5 % (39 of 69)	100.0 % (1 of 1)
Methyl	95.6 % (151 of 158)	94.9 % (75 of 79)	96.2 % (76 of 79)

1. SRU 2040

MKTTPDILDQ IRVHGADAYP EEGCGFLLGT VTDDGDNRVA ALHRATNRRS EQRTRRYELT ADDYRAADAA AQEQGLDVVG VYHSHPDHPA RPSATDLEEA TFPGFTYVIV SVRDGAPEAL TAWALAPDRS EFHREDIVRP DPEAPLEHHH HHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	0.7 mM
2	MES	natural abundance	20 mM
3	NACL	natural abundance	100 mM
4	CaCl2	natural abundance	5.0 mM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	5 %
7	D2O	natural abundance	10 %
8	Protease Inhibitors	natural abundance

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors

#	Name	Isotope labeling	Concentration
9	entity	[U-5% 13C; U-99% 15N]	1.0 mM
10	MES	natural abundance	20 mM
11	NACL	natural abundance	100 mM
12	CaCl2	natural abundance	5.0 mM
13	DTT	natural abundance	10 mM
14	NaN3	natural abundance	5 %
15	D2O	natural abundance	5 %
16	Protease Inhibitors	natural abundance

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: 0.12 ppm, Outliers: 1 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: 0.12 ppm, Outliers: 1 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: -0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-03-04

Citation

Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855) . Northeast Structural Genomics Consortium target SrR106
Wu, Y., Eletsky, A., Zhao, L., Hua, J., Sukumaran, D., Jiang, M., Foote, E., Xiao, R., Nair, R.
Not known

Related entities 1. SRU 2040, : 1 : 3 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC