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BMRB: 18596

2LVZ

Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex

Authors

Garcia Mayoral, M., Canales, A., Diaz, D., Lopez Prados, J., Moussaoui, M., de Paz, J., Angulo, J., Nieto, P., Jimenez Barbero, J., Boix, E., Bruix, M.

Assembly

Eosinophil Cationic Protein

Entity

1. Eosinophil Cationic Protein (polymer, Thiol state: free and disulfide bound), 133 monomers, 15573.66 Da Detail

RPPQFTRAQW FAIQHISLNP PRCTIAMRAI NNYRWRCKNQ NTFLRTTFAN VVNVCGNQSI RCPHNRTLNN CHRSRFRVPL LHCDLINPGA QNISNCRYAD RPGRRFYVVA CDNRDPRDSP RYPVVPVHLD TTI

2. SUGAR (3-MER) (polymer), 3 monomers, 958.8474 Da

Total weight

16532.508 Da

Max. entity weight

15573.66 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS23:SG	1:CYS83:SG
2	disulfide	sing	1:CYS37:SG	1:CYS96:SG
3	disulfide	sing	1:CYS55:SG	1:CYS111:SG
4	disulfide	sing	1:CYS62:SG	1:CYS71:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 86.8 %, Completeness (bb): 85.1 % Detail

Polymer type: polypeptide(L) polysaccharide(D)

	Total	¹H	¹³C	¹⁵N
All	86.8 % (1377 of 1587)	95.3 % (798 of 837)	72.6 % (440 of 606)	96.5 % (139 of 144)
Backbone	85.1 % (659 of 774)	99.6 % (256 of 257)	71.5 % (283 of 396)	99.2 % (120 of 121)
Sidechain	89.9 % (848 of 943)	93.4 % (542 of 580)	84.4 % (287 of 340)	82.6 % (19 of 23)
Aromatic	60.3 % (82 of 136)	91.2 % (62 of 68)	27.3 % (18 of 66)	100.0 % (2 of 2)
Methyl	98.4 % (126 of 128)	98.4 % (63 of 64)	98.4 % (63 of 64)

1. Eosinophil Cationic Protein

RPPQFTRAQW FAIQHISLNP PRCTIAMRAI NNYRWRCKNQ NTFLRTTFAN VVNVCGNQSI RCPHNRTLNN CHRSRFRVPL LHCDLINPGA QNISNCRYAD RPGRRFYVVA CDNRDPRDSP RYPVVPVHLD TTI

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 4.0

#	Name	Isotope labeling	Concentration
1	Eosinophil_Cationic_Protein	[U-13C; U-15N]	0.5 mM
2	Heparin (3-MER)	natural abundance	0.5 mM
3	potassium phosphate	natural abundance	100 mM
4	potassium chloride	natural abundance	300 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: -0.07 ppm, Outliers: 5 Detail

Protein Blocks Logo

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

Release date

2013-07-28

Citation

Insights into the glycosaminoglycan-mediated cytotoxic mechanism of eosinophil cationic protein revealed by NMR
Garcia Mayoral, M., Canales, A., Diaz, D., Lopez Prados, J., Moussaoui, M., de Paz, J., Angulo, J., Nieto, P., Jimenez Barbero, J., Boix, E., Bruix, M.
ACS Chem. Biol. (2013), 8, 144-151, PubMed 23025322 , DOI 10.1021/cb300386v , Abstract

Related entities 1. Eosinophil Cationic Protein, : 1 : 8 : 1 : 3 : 221 entities Detail

Interaction partners 1. Eosinophil Cationic Protein, : 6 interactors Detail

More details for 6 interactors identified by 1 citations

Experiments performed 9 experiments Detail

1 3D 1H-13C NOESY aliphatic