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BMRB: 18039

4A5V

Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4

Authors

Marchant, J., Cowper, B., Liu, Y., Lai, L., Pinzan, C., Marq, J.B., Friedrich, N., Sawmynaden, K., Chai, W., Childs, R.A., Saouros, S., Simpson, P., Barreira, M.C.R., Feizi, T., Soldati-favre, D., Matthews, S.J.

Assembly

Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4

Entity

1. Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 (polymer, Thiol state: all disulfide bound), 161 monomers, 17221.89 Da Detail

SSEPAKLDLS CVHSDNKGSR APTIGEPVPD VSLEQCAAQC KAVDGCTHFT YNDDSKMCHV KEGKPDLYDL TGGKTASRSC DRSCFEQHVS YEGAPDVMTA MVTSQSADCQ AACAADPSCE IFTYNEHDQK CTFKGRGFSA FKERGVLGVT SGPKQFCDEG G

Formula weight

17221.89 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS109:SG	1:CYS109:SG
2	disulfide	sing	1:CYS84:SG	1:CYS84:SG
3	disulfide	sing	1:CYS11:SG	1:CYS11:SG
4	disulfide	sing	1:CYS113:SG	1:CYS113:SG
5	disulfide	sing	1:CYS36:SG	1:CYS36:SG
6	disulfide	sing	1:CYS40:SG	1:CYS40:SG

Source organism

Toxoplasma gondii

Exptl. method

solution NMR

Refine. method

ARIA

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 95.8 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.8 % (1646 of 1718)	95.1 % (845 of 889)	96.2 % (641 of 666)	98.2 % (160 of 163)
Backbone	97.7 % (928 of 950)	97.0 % (318 of 328)	98.1 % (460 of 469)	98.0 % (150 of 153)
Sidechain	94.4 % (864 of 915)	93.9 % (527 of 561)	95.1 % (327 of 344)	100.0 % (10 of 10)
Aromatic	77.0 % (94 of 122)	75.4 % (46 of 61)	78.7 % (48 of 61)
Methyl	100.0 % (120 of 120)	100.0 % (60 of 60)	100.0 % (60 of 60)

1. MICRONEMAL PROTEIN 4

SSEPAKLDLS CVHSDNKGSR APTIGEPVPD VSLEQCAAQC KAVDGCTHFT YNDDSKMCHV KEGKPDLYDL TGGKTASRSC DRSCFEQHVS YEGAPDVMTA MVTSQSADCQ AACAADPSCE IFTYNEHDQK CTFKGRGFSA FKERGVLGVT SGPKQFCDEG G

Show sample condition

Sample #1

Solvent system 90 % water / 10 % D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.500, Details 300 uM

#	Name	Isotope labeling	Type	Concentration
1	MICRONEMAL PROTEIN 4	[U-13C; U-15N]		0.3 mM

Sample #2

Solvent system 100 % D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.500, Details 300 uM

#	Name	Isotope labeling	Type	Concentration
2	MICRONEMAL PROTEIN 4	[U-13C; U-15N]		0.3 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	external	indirect	1.0
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹⁵N	TSP	methyl protons	external	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	external	indirect	1.0
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹⁵N	TSP	methyl protons	external	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	external	indirect	1.0
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹⁵N	TSP	methyl protons	external	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	external	indirect	1.0
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹⁵N	TSP	methyl protons	external	indirect	0.1013291

Referencing offset: 0.37 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 4A5V, Strand ID: A Detail

Release date

2012-03-08

Citation

Galactose recognition by the apicomplexan parasite Toxoplasma gondii
Marchant, J., Cowper, B., Liu, Y., Lai, L., Pinzan, C., Marq, J., Friedrich, N., Sawmynaden, K., Liew, L., Chai, W., Childs, R.A., Saouros, S., Simpson, P., Roque Barreira, M., Feizi, T., Soldati-Favre, D., Matthews, S.
J. Biol. Chem. (2012), 287, 16720-16733, PubMed 22399295 , DOI 10.1074/jbc.M111.325928 , Abstract

Related entities 1. Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4, : 1 : 1 : 2 entities Detail

Experiments performed 10 experiments Detail

1 CBCA(CO)NH