BMRB: 19197

C-terminal structure of (Y81F)-EhCaBP1

Authors

Chary, K.R., Rout, A.K., Patel, S., Bhattacharya, A.

Assembly

C-terminal structure of (Y81F)-EhCaBP1

Entity

1. (Y81F)-EhCaBP1 (polymer, Thiol state: not present), 134 monomers, 14936.69 Da Detail

MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQGQDL SDDKIGLKVL FKLMDVDGDG KLTKEEVTSF FKKHGIEKVA EQVMKADANG DGYITLEEFL EFSL

2. CALCIUM ION (non-polymer, Thiol state: not present), 40.078 Da

Total weight

14976.769 Da

Max. entity weight

14936.69 Da

Source organism

Entamoeba histolytica

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 57.5 %, Completeness: 46.4 %, Completeness (bb): 54.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	46.4 % (734 of 1581)	43.8 % (360 of 822)	48.7 % (299 of 614)	51.7 % (75 of 145)
Backbone	54.9 % (441 of 804)	55.4 % (155 of 280)	54.1 % (211 of 390)	56.0 % (75 of 134)
Sidechain	39.9 % (359 of 899)	38.0 % (206 of 542)	44.2 % (153 of 346)	0.0 % (0 of 11)
Aromatic	6.3 % (8 of 128)	7.8 % (5 of 64)	4.7 % (3 of 64)
Methyl	54.8 % (80 of 146)	56.2 % (41 of 73)	53.4 % (39 of 73)

1. (Y81F)-EhCaBP1

MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQGQDL SDDKIGLKVL FKLMDVDGDG KLTKEEVTSF FKKHGIEKVA EQVMKADANG DGYITLEEFL EFSL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N,(Y81F)-EhCaBP1

#	Name	Isotope labeling	Type	Concentration
1	(Y81F)-EhCaBP1	[U-99% 15N]		0.8 (±0.1) mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1

#	Name	Isotope labeling	Type	Concentration
4	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]		0.8 (±0.1) mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1

#	Name	Isotope labeling	Type	Concentration
7	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]		0.8 (±0.1) mM
8	D2O	natural abundance		100 %

Hide sample codition

Protein Blocks Logo

Calculated from 10 models in PDB: 2M7N, Strand ID: A Detail

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Release date

2013-06-16

Citation

Functional manipulation of a calcium-binding protein from Entamoeba histolytica guided by paramagnetic NMR
Rout, A.K., Patel, S., Somlata, Shukla, M., Saraswathi, D., Bhattacharya, A.V.R., Chary, K.
J. Biol. Chem. (2013), 288, 23473-23487, PubMed 23782698 , DOI 10.1074/jbc.M112.411058 , Abstract

Related entities 1. (Y81F)-EhCaBP1, : 1 : 7 : 292 entities Detail

Experiments performed 8 experiments Detail