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BMRB: 15685

2K2T

Backbone and side chain 1H, 13C, and 15N Chemical Shift Assignments for the complex of Epidermal Growth Factor-like 2 domain from Microneme Protein 6 (Toxoplasma gondii) with the Galectin-like domain of Microneme protein 1

Authors

Sawmynaden, K., Saouros, S., Marchant, J., Simpson, P., Matthews, S.

Assembly

EGF2 - MIC1 complex

Entity

1. Epidermal Growth Factor-like domain 2 (polymer, Thiol state: all disulfide bound), 61 monomers, 6362.020 Da Detail

MANFVQLSET PAACSSNPCG PEAAGTCKET NSGYICRCNQ GYRISLDGTG NVTCIVRQES G

2. Microneme Protein 6 (polymer, Thiol state: all disulfide bound), 138 monomers, 14151.67 Da Detail

MKTEIHGDST KATLEEGQQL TLTFISTKLD VAVGSCHSLV ANFLDGFLKF QTGSNSAFDV VEVEEPAGPA VLTIGLGHKG RLAVVLDYTR LNAALGSAAY VVEDSGCSSS EEVSFQGVGS GATLVVTTLG ESPTAVSA

Total weight

20513.69 Da

Max. entity weight

14151.67 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	2:CYS36:SG	2:CYS107:SG
2	disulfide	sing	1:CYS14:SG	1:CYS27:SG
3	disulfide	sing	1:CYS19:SG	1:CYS36:SG
4	disulfide	sing	1:CYS38:SG	1:CYS54:SG

Source organism

Toxoplasma gondii

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 43.7 %, Completeness: 36.8 %, Completeness (bb): 41.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	36.8 % (767 of 2087)	35.9 % (379 of 1057)	37.1 % (305 of 822)	39.9 % (83 of 208)
Backbone	41.5 % (490 of 1182)	41.3 % (171 of 414)	41.4 % (238 of 575)	42.0 % (81 of 193)
Sidechain	32.3 % (350 of 1082)	32.3 % (208 of 643)	33.0 % (140 of 424)	13.3 % (2 of 15)
Aromatic	14.0 % (16 of 114)	14.0 % (8 of 57)	14.0 % (8 of 57)
Methyl	33.5 % (81 of 242)	33.9 % (41 of 121)	33.1 % (40 of 121)

1. Epidermal Growth Factor-like domain 2

MANFVQLSET PAACSSNPCG PEAAGTCKET NSGYICRCNQ GYRISLDGTG NVTCIVRQES G

2. Microneme Protein 6

MKTEIHGDST KATLEEGQQL TLTFISTKLD VAVGSCHSLV ANFLDGFLKF QTGSNSAFDV VEVEEPAGPA VLTIGLGHKG RLAVVLDYTR LNAALGSAAY VVEDSGCSSS EEVSFQGVGS GATLVVTTLG ESPTAVSA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 308 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	Epidermal Growth Factor-like domain 2	natural abundance	0.5 mM
2	Galectin-like domain (MIC1)	natural abundance	0.5 mM
3	potassium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Temperature 308 K, pH 6.8

#	Name	Isotope labeling	Concentration
5	Epidermal Growth Factor-like domain 2	[U-100% 13C; U-100% 15N]	1-1.3 mM
6	Galectin-like domain (MIC1)	natural abundance	0.5 mM
7	potassium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	50 mM

Chem. Shift Complete2

Sequence coverage: 67.8 %, Completeness: 51.0 %, Completeness (bb): 54.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	51.0 % (2127 of 4174)	49.8 % (1053 of 2114)	52.4 % (861 of 1644)	51.2 % (213 of 416)
Backbone	54.3 % (1283 of 2364)	54.0 % (447 of 828)	54.3 % (625 of 1150)	54.7 % (211 of 386)
Sidechain	47.9 % (1036 of 2164)	47.1 % (606 of 1286)	50.5 % (428 of 848)	6.7 % (2 of 30)
Aromatic	35.1 % (80 of 228)	35.1 % (40 of 114)	35.1 % (40 of 114)
Methyl	55.6 % (269 of 484)	55.8 % (135 of 242)	55.4 % (134 of 242)

1. Epidermal Growth Factor-like domain 2

MANFVQLSET PAACSSNPCG PEAAGTCKET NSGYICRCNQ GYRISLDGTG NVTCIVRQES G

2. Microneme Protein 6

MKTEIHGDST KATLEEGQQL TLTFISTKLD VAVGSCHSLV ANFLDGFLKF QTGSNSAFDV VEVEEPAGPA VLTIGLGHKG RLAVVLDYTR LNAALGSAAY VVEDSGCSSS EEVSFQGVGS GATLVVTTLG ESPTAVSA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	Epidermal Growth Factor-like domain 2	natural abundance	0.5 mM
2	Galectin-like domain (MIC1)	natural abundance	0.5 mM
3	potassium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Concentration
5	Epidermal Growth Factor-like domain 2	[U-100% 13C; U-100% 15N]	1-1.3 mM
6	Galectin-like domain (MIC1)	natural abundance	0.5 mM
7	potassium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: -0.15 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	internal	indirect	0.0
¹H	water	protons	internal	direct	1.0
¹⁵N	water	protons	internal	indirect	0.0

Referencing offset: 0.99 ppm, Outliers: 1 Detail

Release date

2008-10-02

Citation

Complete NMR assignments for the second EGF domain of MIC6 from Toxoplasma gondii and re-assignment in complex with the galectin-like domain of MIC1
Sawmynaden, K., Saouros, S., Marchant, J., Simpson, P., Matthews, S.
Biomol. NMR Assign. (2008), 2, 187-189, PubMed 19636901 , DOI 10.1007/s12104-008-9117-5 , Abstract

Related entities 1. Epidermal Growth Factor-like domain 2, : 1 : 2 : 3 entities Detail

Related entities 2. Microneme Protein 6, : 3 entities Detail

Interaction partners 1. Epidermal Growth Factor-like domain 2, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Interaction partners 2. Microneme Protein 6, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC