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BMRB: 18506

2LU2

MIC5 regulates the activity of Toxoplasma subtilisin 1 by mimicking a subtilisin prodomain

Authors

Saouros, S., Dou, Z., Henry, M., Marchant, J., Carruthers, V.B., Matthews, S.

Assembly

Tg Micronemal Protein 5

Entity

1. Tg Micronemal Protein 5 (polymer), 29 monomers, 3018.430 Da Detail

CGETCVGGTC NTPGCTCSWP VCGHFRWGV

Formula weight

3018.43 Da

Source organism

Toxoplasma gondii

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.9 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	93.9 % (138 of 147)	93.9 % (138 of 147)
Backbone	100.0 % (62 of 62)	100.0 % (62 of 62)
Sidechain	89.4 % (76 of 85)	89.4 % (76 of 85)
Aromatic	63.2 % (12 of 19)	63.2 % (12 of 19)
Methyl	90.0 % (9 of 10)	90.0 % (9 of 10)

1. Tg Micronemal Protein 5

CGETCVGGTC NTPGCTCSWP VCGHFRWGV

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

Release date

2012-08-20

Citation

Microneme protein 5 regulates the activity of Toxoplasma subtilisin 1 by mimicking a subtilisin prodomain
Saouros, S., Dou, Z., Henry, M., Marchant, J., Carruthers, V.B., Matthews, S.
J. Biol. Chem. (2012), 287, 36029-36040, PubMed 22896704 , DOI 10.1074/jbc.M112.389825 , Abstract

Related entities 1. Tg Micronemal Protein 5, : 1 : 17 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

4 3D HNCACB

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

5 3D HNCO

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

6 3D HBHA(CO)NH

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

7 3D HCCH-TOCSY

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

10 3D HN(CA)CO

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

11 3D (H)CC(CO)NH-TOCSY

Instrument

Bruker Avance III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

12 3D CCH-TOCSY

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	Tg Micronemal Protein 5	[U-100% 13C; U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18506_2lu2.nef
Input source #2: Coordindates	2lu2.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
RTMDTQNDVESAGRQSEPMEAADRQAEHPGAPTQSEMKEFQEEIKEGVEETKHEGDPEMTRLMVTEKQESKNFSKMAKSQSFSTRIEELGGSISFLTETG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
RTMDTQNDVESAGRQSEPMEAADRQAEHPGAPTQSEMKEFQEEIKEGVEETKHEGDPEMTRLMVTEKQESKNFSKMAKSQSFSTRIEELGGSISFLTETG

-------110-------120-------130--------
VTMIELPKTVSEHDMDQLLHDILAAGGVVGLDSEVKLA
||||||||||||||||||||||||||||||||||||||
VTMIELPKTVSEHDMDQLLHDILAAGGVVGLDSEVKLA

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	138	0	0	100.0

Content subtype: combined_18506_2lu2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Error	138		No information
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	3599 (1)	noe	58.0 (chain: A, length: 138)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	144 (144)	.	57.2 (chain: A, length: 138)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Error

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 138, Sequence coverage: 58.0%
- Total number of restraints: 3574
- Weight of restraints: 1.0 (3574)
- Potential type of restraints: square-well-parabolic (3574)
- Range of distance target values: 1.54, 3.9 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 138, Sequence coverage: 57.2%
- Total number of restraints: 144
- Total number of restraints per polymer type: 144
- Weight of restraints: 1.0 (144)
- Potential type of restraints: square-well-parabolic (144)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords invasion, Micronemal Protein 5, pathogenesis, Toxoplasma gondii