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BMRB: 18390

2LRQ

Chemical Shift Assignment and Solution Structure of ChR145 from Drosophila melanogaster. Northeast Structural Genomics Consortium Target Fr822A

Authors

Lee, H., Lee, D., Kohan, E., Janjua, H., Xiao, R., Acton, T., Everett, J.K., Montelione, G., Prestegard, J.H.

Assembly

Fr822A

Entity

1. Fr822A (polymer, Thiol state: all free), 170 monomers, 20004.17 Da Detail

MNYSTGTDAN TLFVDGERVL CFHGPLIYEA KVLKTKPDAT PVEYYIHYAG WSKNWDEWVP ENRVLKYNDD NVKRRQELAR QCGERMNYST GTDANTLFVD GERVLCFHGP LIYEAKVLKT KPDATPVEYY IHYAGWSKNW DEWVPENRVL KYNDDNVKRR QELARQCGER

Formula weight

20004.17 Da

Source organism

Drosophila melanogaster

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 54.7 %, Completeness: 44.2 %, Completeness (bb): 50.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.2 % (900 of 2038)	43.2 % (460 of 1064)	44.2 % (349 of 790)	49.5 % (91 of 184)
Backbone	50.7 % (509 of 1004)	51.2 % (175 of 342)	49.4 % (247 of 500)	53.7 % (87 of 162)
Sidechain	39.7 % (474 of 1194)	39.6 % (286 of 722)	40.9 % (184 of 450)	18.2 % (4 of 22)
Aromatic	29.0 % (65 of 224)	35.7 % (40 of 112)	20.8 % (22 of 106)	50.0 % (3 of 6)
Methyl	50.0 % (80 of 160)	50.0 % (40 of 80)	50.0 % (40 of 80)

1. Fr822A

MNYSTGTDAN TLFVDGERVL CFHGPLIYEA KVLKTKPDAT PVEYYIHYAG WSKNWDEWVP ENRVLKYNDD NVKRRQELAR QCGERMNYST GTDANTLFVD GERVLCFHGP LIYEAKVLKT KPDATPVEYY IHYAGWSKNW DEWVPENRVL KYNDDNVKRR QELARQCGER

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Fr822A	[U-100% 13C; U-100% 15N]	0.9 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	DTT	natural abundance	5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Phage sample for RDC

#	Name	Isotope labeling	Concentration
5	Fr822A	[U-100% 15N]	0.9 mM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	200 mM
8	Pf1 phage	natural abundance	12 mg
9	DTT	natural abundance	5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details C12E5 sample for RDC

#	Name	Isotope labeling	Concentration
10	Fr822A	[U-100% 15N]	0.9 mM
11	sodium phosphate	natural abundance	20 mM
12	sodium chloride	natural abundance	200 mM
13	C12E5	natural abundance	4.2 %
14	DTT	natural abundance	5 mM

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: -0.22 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: -0.22 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: -0.01 ppm, Outliers: 3 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: -1.03 ppm, Outliers: 4 Detail

Protein Blocks Logo

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

Release date

2012-05-14

Citation

Solution Structure of Fr822A from Drosophila melanogaster
Lee, H.
Not known