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BMRB: 16233

2LBO

1H, 13C, 15N Chemical Shift Assignments for Eimeria tenella microneme protein 3 mar1a domain

Authors

Lai, L., Matthews, S., Simpson, P.

Assembly

Eimeria tenella microneme protein 3 mar1a domain

Entity

1. Eimeria tenella microneme protein 3 mar1a domain (polymer, Thiol state: all disulfide bound), 123 monomers, 13284.43 Da Detail

APTLQEALDR KCAQFGKESC NSGLASYCGA AIYARYDKGN SSQQTKEWRC YIEKELDFSK SGDGCVDDCG SMTSCRGSVS GPSTSHLTRP SELQAVIDSD KSNYCTDKSE QQPSQATPPP EIP

Formula weight

13284.43 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS12:SG	1:CYS50:SG
2	disulfide	sing	1:CYS20:SG	1:CYS28:SG
3	disulfide	sing	1:CYS65:SG	1:CYS75:SG
4	disulfide	sing	1:CYS69:SG	1:CYS105:SG

Source organism

Eimeria tenella

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.9 %, Completeness: 91.2 %, Completeness (bb): 95.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (1216 of 1334)	88.1 % (616 of 699)	94.9 % (482 of 508)	92.9 % (118 of 127)
Backbone	95.2 % (687 of 722)	94.3 % (233 of 247)	95.3 % (343 of 360)	96.5 % (111 of 115)
Sidechain	87.9 % (638 of 726)	84.7 % (383 of 452)	94.7 % (248 of 262)	58.3 % (7 of 12)
Aromatic	100.0 % (76 of 76)	100.0 % (38 of 38)	100.0 % (37 of 37)	100.0 % (1 of 1)
Methyl	94.0 % (79 of 84)	90.5 % (38 of 42)	97.6 % (41 of 42)

1. mar1a

APTLQEALDR KCAQFGKESC NSGLASYCGA AIYARYDKGN SSQQTKEWRC YIEKELDFSK SGDGCVDDCG SMTSCRGSVS GPSTSHLTRP SELQAVIDSD KSNYCTDKSE QQPSQATPPP EIP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
6	mar1a	[U-13C; U-15N]	0.5 mM
7	D2O	natural abundance	100 %
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.01329118

Referencing offset: -0.17 ppm, Outliers: 6 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.01329118

Referencing offset: -0.17 ppm, Outliers: 6 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.01329118

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.725 ppm	internal	indirect	0.2514495
¹H	water	protons	4.725 ppm	internal	direct	1.0
¹⁵N	water	protons	4.725 ppm	internal	indirect	0.01329118

Referencing offset: -0.03 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2009-05-19

Citation 1

Complete NMR assignments for the second microneme adhesive repeat (MAR) domain from Eimeria tenella microneme protein EtMIC3
Lai, L., Simpson, P., Bumstead, J., Tomley, F., Matthews, S.
Biomol. NMR Assign. (2009), 3, 175-177, PubMed 19888684 , DOI 10.1007/s12104-009-9168-2 , Abstract

Show more 1 citaion

Citation 2

Eimeria tenella microneme protein EtMIC3: identification, localisation and role in host cell infection
Labbe, M., de Venevelles, P., Girard-Misguich, F., Bourdieu, C., Guillaume, A., Pery, P.
Mol. Biochem. Parasitol. (2005), 140, 43-53, PubMed 15694485 , DOI 10.1016/j.molbiopara.2004.12.002 , Abstract

Hide non-primary 1 citaion

Related entities 1. Eimeria tenella microneme protein 3 mar1a domain, : 1 : 14 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

2 2D 1H-13C HSQC

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

3 3D HNCACB

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

5 3D HN(CO)CA

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

6 3D HNCO

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

7 3D HBHA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

8 3D HCCH-TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
6	mar1a	[U-13C; U-15N]	0.5 mM
7	D2O	natural abundance	100 %
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM

9 3D H(CCO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
1	mar1a	[U-13C; U-15N]	0.5 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM

11 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Concentration
6	mar1a	[U-13C; U-15N]	0.5 mM
7	D2O	natural abundance	100 %
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM

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Found 1 Document (0.701 seconds)

BMRB: 16233

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Eimeria tenella microneme protein 3 mar1a domain, : 1 : 14 entities Detail

Experiments performed 11 experiments Detail

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