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BMRB: 16097

2KCU

NMR solution structure of an uncharacterized protein from Chlorobium tepidum. Northeast Structural Genomics target CtR107

Authors

Mills, J.L., Zhang, Q., Sukumaran, D.K., Wang, 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

CtR107

Entity

1. CtR107 (polymer, Thiol state: all free), 166 monomers, 18119.12 Da Detail

MDFECQFVCE LKELAPVPAL LIRTQTAMSE LGSLFEAGYH DILQLLAGQG KSPSGPPFAR YFGMSAGTFE VEFGFPVEGG VEGSGRVVTG LTPSGKAASS LYIGPYGEIE AVYDALMKWV DDNGFDLSGE AYEIYLDNPA ETAPDQLRTR VSLMLHESLE HHHHHH

Formula weight

18119.12 Da

Source organism

Chlorobaculum tepidum

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 85.5 %, Completeness (bb): 82.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.5 % (1592 of 1863)	93.0 % (889 of 956)	73.9 % (549 of 743)	93.9 % (154 of 164)
Backbone	82.7 % (807 of 976)	95.0 % (323 of 340)	70.0 % (336 of 480)	94.9 % (148 of 156)
Sidechain	88.0 % (911 of 1035)	90.7 % (559 of 616)	84.2 % (346 of 411)	75.0 % (6 of 8)
Aromatic	75.8 % (144 of 190)	91.6 % (87 of 95)	59.6 % (56 of 94)	100.0 % (1 of 1)
Methyl	92.5 % (161 of 174)	92.0 % (80 of 87)	93.1 % (81 of 87)

1. CtR107

MDFECQFVCE LKELAPVPAL LIRTQTAMSE LGSLFEAGYH DILQLLAGQG KSPSGPPFAR YFGMSAGTFE VEFGFPVEGG VEGSGRVVTG LTPSGKAASS LYIGPYGEIE AVYDALMKWV DDNGFDLSGE AYEIYLDNPA ETAPDQLRTR VSLMLHESLE HHHHHH

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	CtR107	[U-99% 13C; U-99% 15N]	0.45 mM
2	D2O	[U-2H]	5 %
3	H2O	natural abundance	95 %
4	DSS	natural abundance	50 uM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	calcium chloride	natural abundance	5 mM
8	sodium chloride	natural abundance	100 mM
9	MES	natural abundance	20 mM

Sample #2

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

#	Name	Isotope labeling	Concentration
10	CtR107	[U-5% 13C; U-99% 15N]	0.45 mM
11	D2O	[U-2H]	5 %
12	H2O	natural abundance	95 %
13	DSS	natural abundance	50 uM
14	DTT	natural abundance	10 mM
15	sodium azide	natural abundance	0.02 %
16	calcium chloride	natural abundance	5 mM
17	sodium chloride	natural abundance	100 mM
18	MES	natural abundance	20 mM

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: -0.16 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: -0.16 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: -0.1 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-03-04

Citation

Solution NMR structure of an uncharacterized protein from Chlorobium tepidum. Northeast Structural Genomics target CtR107
Mills, J.L., Zhang, Q., Sukumaran, D.K., Wang, D., Jiang, M., Foote, E.L., Xiao, R., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G., SZYPERSKI, T.
Not known

Related entities 1. CtR107, : 1 : 2 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC