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BMRB: 17667

2LL4

1H, 13C & 13N chemical shift assignments for Toxoplasma gondii Microneme protein 4 (MIC4) residues 410-491 (apple domain 5)

Authors

Matthews, S., Pete, S., Jan, M.

Assembly

TgMIC4-apple5 monomer

Entity

1. TgMIC4-apple5 monomer (polymer, Thiol state: all disulfide bound), 82 monomers, 9143.106 Da Detail

SPDFHDEVEC VHTGNIGSKA QTIGEVKRAS SLSECRARCQ AEKECSHYTY NVKSGLCYPK RGKPQFYKYL GDMTGSRTCD TS

Formula weight

9143.106 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS10:SG	1:CYS79:SG
2	disulfide	sing	1:CYS35:SG	1:CYS57:SG
3	disulfide	sing	1:CYS39:SG	1:CYS45:SG

Source organism

Toxoplasma gondii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.7 %, Completeness: 85.5 %, Completeness (bb): 89.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.5 % (782 of 915)	82.7 % (396 of 479)	89.5 % (315 of 352)	84.5 % (71 of 84)
Backbone	89.5 % (435 of 486)	86.9 % (146 of 168)	91.6 % (219 of 239)	88.6 % (70 of 79)
Sidechain	82.5 % (416 of 504)	80.4 % (250 of 311)	87.8 % (165 of 188)	20.0 % (1 of 5)
Aromatic	72.2 % (52 of 72)	72.2 % (26 of 36)	72.2 % (26 of 36)
Methyl	87.5 % (49 of 56)	85.7 % (24 of 28)	89.3 % (25 of 28)

1. TgMIC4-apple5

SPDFHDEVEC VHTGNIGSKA QTIGEVKRAS SLSECRARCQ AEKECSHYTY NVKSGLCYPK RGKPQFYKYL GDMTGSRTCD TS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TgMIC4-apple5	[U-98% 13C; U-98% 15N]	100.0 ~ 200.0 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	100 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	TgMIC4-apple5	[U-98% 13C; U-98% 15N]	100-200 mM
7	potassium phosphate	natural abundance	50 mM
8	sodium chloride	natural abundance	100 mM
9	H20	natural abundance	90 %
10	D20	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.725 ppm	external	direct	1.0
¹⁵N	water	protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.725 ppm	external	direct	1.0
¹⁵N	water	protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.725 ppm	external	direct	1.0
¹⁵N	water	protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.725 ppm	external	direct	1.0
¹⁵N	water	protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LL4, Strand ID: M Detail

Release date

2011-06-23

Citation

TgMIC4-apple5 assignments
Cowper, B.
Not known

Related entities 1. TgMIC4-apple5 monomer, : 1 : 2 : 9 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC