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BMRB: 17633

2LCU

NMR structure of BC28.1

Authors

Roumestand, C., Delbecq, S., Yang, Y.

Assembly

BC28.1

Entity

1. BC28.1 (polymer, Thiol state: all free), 223 monomers, 24908.86 Da Detail

SSGIEGCTED EKRDSVVEGA TSVEASLKEQ IDWLAERYSA DLTNKDTSKW NTDEKVKELL NEKAVGIESR LLAIAKEFHK LKSVLCTGVN ETPAHVANRV SPGDAISMLY VLSITHRELS SLKNKIDEWK KVKASEDGTK VIQNIKDDRT NTWFVAHGFK VAELNDVTLE KLATVVNELV SHKDMIYIND AMKQNVDKWT KEESERLAMM AEQGISGAKG KKD

Formula weight

24908.86 Da

Source organism

Babesia canis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.6 %, Completeness: 84.8 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.8 % (2183 of 2574)	91.0 % (1217 of 1337)	74.4 % (740 of 995)	93.4 % (226 of 242)
Backbone	96.1 % (1282 of 1334)	98.7 % (449 of 455)	93.3 % (614 of 658)	99.1 % (219 of 221)
Sidechain	74.8 % (1086 of 1452)	87.1 % (768 of 882)	56.6 % (311 of 549)	33.3 % (7 of 21)
Aromatic	40.3 % (54 of 134)	73.1 % (49 of 67)	0.0 % (0 of 62)	100.0 % (5 of 5)
Methyl	90.8 % (236 of 260)	99.2 % (129 of 130)	82.3 % (107 of 130)

1. BC28.1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	BC28.1	[U-15N]	0.5 (±0.02) mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Sodium phosphate	natural abundance	10 mM
5	NaCl	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	BC28.1	[U-13C; U-15N]	0.5 (±0.02) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %
9	Sodium phosphate	natural abundance	10 mM
10	NaCl	natural abundance	50 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	BC28.1	natural abundance	0.1 (±0.005) mM
12	D2O	natural abundance	100 %
13	sodium phosphate	natural abundance	10 mM
14	NaCl	natural abundance	50 mM

LACS Plot; CA

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

Referencing offset: -0.29 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.29 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.29 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2LCU, Strand ID: A Detail

Release date

2012-02-02

Citation

Structural and functional characterization of Bc28.1, major erythrocyte-binding protein from Babesia canis merozoite surface
Yang, Y., Murciano, B., Moubri, K., Cibrelus, P., Schetters, T., Gorenflot, A., Delbecq, S., Roumestand, C.
J. Biol. Chem. (2012), 287, 9495-9508, PubMed 22294693 , DOI 10.1074/jbc.M111.260745 , Abstract

Related entities 1. BC28.1, : 1 : 1 entities Detail

Experiments performed 10 experiments Detail

1 3D 1H-15N NOESY