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BMRB: 16746

2KUT

Chemical shift assignment of GmR58A from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR58A

Authors

Lee, H., Wang, H., Buchwald, W.A., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Prestegard, J.H.

Assembly

GmR58A

Entity

1. GmR58A (polymer, Thiol state: not present), 122 monomers, 13112.62 Da Detail

MDLPITLSKE TPFEGEEITV SARVTNRGAA EAHNVPVAVY LGNPAQGGVE IGRDTISRIP VGGTGLARVQ WKATRKLAGR AANPGVPVYA VVDPDNRVAE SDKANNVFSR IVKVLEHHHH HH

Formula weight

13112.62 Da

Source organism

Geobacter metallireducens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 95.1 %, Completeness: 85.8 %, Completeness (bb): 93.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.8 % (1154 of 1345)	85.0 % (589 of 693)	86.6 % (457 of 528)	87.1 % (108 of 124)
Backbone	93.0 % (666 of 716)	93.5 % (231 of 247)	92.7 % (329 of 355)	93.0 % (106 of 114)
Sidechain	80.0 % (592 of 740)	80.3 % (358 of 446)	81.7 % (232 of 284)	20.0 % (2 of 10)
Aromatic	40.8 % (31 of 76)	52.6 % (20 of 38)	27.0 % (10 of 37)	100.0 % (1 of 1)
Methyl	88.3 % (136 of 154)	93.5 % (72 of 77)	83.1 % (64 of 77)

1. GmR58A

MDLPITLSKE TPFEGEEITV SARVTNRGAA EAHNVPVAVY LGNPAQGGVE IGRDTISRIP VGGTGLARVQ WKATRKLAGR AANPGVPVYA VVDPDNRVAE SDKANNVFSR IVKVLEHHHH HH

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	GmR58A	[U-100% 13C; U-100% 15N]	0.77 mM
2	sodium azide	natural abundance	2 %
3	DTT	natural abundance	10 mM
4	CaCl	natural abundance	5 mM
5	sodium chloride	natural abundance	200 mM
6	MES	natural abundance	20 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Protein Aligned in Peg

#	Name	Isotope labeling	Concentration
9	GmR58A	[U-100% 13C; U-100% 15N]	0.65 mM
10	sodium azide	natural abundance	2 %
11	DTT	natural abundance	10 mM
12	CaCl	natural abundance	5 mM
13	sodium chloride	natural abundance	200 mM
14	MES	natural abundance	20 mM
15	C12E5	natural abundance	4.2 %
16	H2O	natural abundance	95 %
17	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Protein Aligned in negatively charged compressed polyacrylamide gel

#	Name	Isotope labeling	Concentration
18	GmR58A	[U-100% 13C; U-100% 15N]	0.65 mM
19	sodium azide	natural abundance	2 %
20	DTT	natural abundance	10 mM
21	CaCl	natural abundance	5 mM
22	sodium chloride	natural abundance	200 mM
23	MES	natural abundance	20 mM
24	negatively charged compressed polyacrylamide gel	natural abundance	7 %
25	H2O	natural abundance	95 %
26	D2O	natural abundance	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Protein Aligned in neutral stretched polyacrylamide gel

#	Name	Isotope labeling	Concentration
27	GmR58A	[U-100% 13C; U-100% 15N]	0.65 mM
28	sodium azide	natural abundance	2 %
29	DTT	natural abundance	10 mM
30	CaCl	natural abundance	5 mM
31	sodium chloride	natural abundance	200 mM
32	MES	natural abundance	20 mM
33	Neutral stretched polyacrylamide gel	natural abundance	5 %
34	H2O	natural abundance	95 %
35	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: -0.19 ppm, Outliers: 2 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: -0.19 ppm, Outliers: 2 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: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.52 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KUT, Strand ID: A Detail

RDC

155 RDC values in 3 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2010-03-30

Citation

Solution Structure of GmR58A
Lee, H., Montelione, G.T., Prestegard, J.H.
Not known