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BMRB: 19196

2M7M

N-terminal domain of (Y81F)-EhCaBP1 structure

Authors

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

Assembly

(Y81F)-EhCaBP1

Entity

1. (Y81F)-EhCaBP1 (polymer, Thiol state: not present), 66 monomers, 7372.189 Da Detail

MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQ

2. 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

Total weight

22308.879 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: 32.5 %, Completeness: 25.7 %, Completeness (bb): 31.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	25.7 % (606 of 2362)	23.1 % (284 of 1229)	28.1 % (257 of 914)	29.7 % (65 of 219)
Backbone	31.2 % (374 of 1200)	30.0 % (125 of 417)	31.7 % (185 of 583)	32.0 % (64 of 200)
Sidechain	21.6 % (291 of 1345)	19.6 % (159 of 812)	25.5 % (131 of 514)	5.3 % (1 of 19)
Aromatic	0.0 % (0 of 194)	0.0 % (0 of 97)	0.0 % (0 of 97)
Methyl	28.7 % (62 of 216)	26.9 % (29 of 108)	30.6 % (33 of 108)

1. (Y81F)-EhCaBP1

MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQ

2. 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	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	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 %

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: 1.15 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: 1.15 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: 4 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: 2.33 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M7M, Strand ID: A Detail

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 : 10 : 456 entities Detail

Related entities 2. EhCaBP1, : 1 : 204 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

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

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

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, 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 %

3 3D HNCO