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BMRB: 18517

2LUD

Solution structure of EDK-delta-Bd37 from Babesia divergens

Authors

Murciano, B., Barthe, P., Delbecq, S., Roumestand, C.

Assembly

EDK-delta-Bd37

Entity

1. EDK-delta-Bd37 (polymer, Thiol state: not present), 224 monomers, 24543.01 Da Detail

VKTLDVLRGE LRGQREAFLS EIIKSDGPFT ILQLVGYLRV VDTDLLLKVD STKVDEAGKK VKAYLEKIGI RGDSVEAALD NLMIKVYEIT KGTVESSAQG TDSEELKTLL LKFSEDLKAE QELHSEAKGG EALLSSMKTQ HDELLKKFAA LTPTFLTSED ISGYLTVPEY GAPMNAAKWA KVEGMIHGKL ESSEVPANLK ALVAELIELR AQMMALLYGP IGHH

Formula weight

24543.01 Da

Source organism

Babesia divergens

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 83.5 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.5 % (2162 of 2589)	90.2 % (1208 of 1339)	72.9 % (745 of 1022)	91.7 % (209 of 228)
Backbone	95.3 % (1269 of 1332)	93.2 % (428 of 459)	97.1 % (636 of 655)	94.0 % (205 of 218)
Sidechain	74.8 % (1095 of 1464)	88.6 % (780 of 880)	54.2 % (311 of 574)	40.0 % (4 of 10)
Aromatic	53.1 % (69 of 130)	90.8 % (59 of 65)	14.1 % (9 of 64)	100.0 % (1 of 1)
Methyl	78.1 % (236 of 302)	100.0 % (151 of 151)	56.3 % (85 of 151)

1. EDK-delta-Bd37

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.01) K, pH 6.9 (±0.01), Details 15N

#	Name	Isotope labeling	Concentration
1	EDK-delta-Bd37	[U-100% 15N]	0.45 (±0.01) mM
2	H2O	[U-100% 15N]	90 %
3	D2O	[U-100% 15N]	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.01) K, pH 6.9 (±0.01), Details 13C/15N

#	Name	Isotope labeling	Concentration
4	EDK-delta-Bd37	[U-100% 13C; U-100% 15N]	0.38 (±0.01) mM
5	H2O	[U-100% 15N]	90 %
6	D2O	[U-100% 15N]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.5 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.5 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 5 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.43 ppm, Outliers: 7 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LUD, Strand ID: A Detail

Release date

2012-08-28

Citation

¹H, ¹⁵N and ¹³C Backbone resonance assignments of a conformational mutant of the adhesion protein ∆-Bd37 from Babesia divergens
Barthe, P., Murciano, B., Schetters, T., Gorenflot, A., Delbecq, S., Roumestand, C.
Biomol. NMR Assign. (2013), 7, 241-244, PubMed 22899250 , DOI 10.1007/s12104-012-9418-6 , Abstract

Related entities 1. EDK-delta-Bd37, : 1 : 1 entities Detail

Experiments performed 8 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.01) K, pH 6.9 (±0.01), Details 15N

#	Name	Isotope labeling	Concentration
1	EDK-delta-Bd37	[U-100% 15N]	0.45 (±0.01) mM
2	H2O	[U-100% 15N]	90 %
3	D2O	[U-100% 15N]	10 %

2 3D 1H-15N TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.01) K, pH 6.9 (±0.01), Details 15N

#	Name	Isotope labeling	Concentration
1	EDK-delta-Bd37	[U-100% 15N]	0.45 (±0.01) mM
2	H2O	[U-100% 15N]	90 %
3	D2O	[U-100% 15N]	10 %

3 3D HNCA