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BMRB: 6123


6123
1HEV
1H chemical shift assignments for truncated hevein of 32 aa bound to N,N',N''-triacetylchitotriose
Authors
Aboitiz, N., Vila-Perello, M., Groves, P., Asensio, J.L., Andreu, D., Canada, F.J., Jimenez-Barbero, J.
Assembly
Truncated hevein of 32 aa
Entity
1. hevein (polymer, Thiol state: all disulfide bound), 32 monomers, 3484.832 Da Detail

EQCGRQAGGK LCPNNLCCSQ WGWCGSTDEY CS


2. CTO (polymer), 627.593 Da
Total weight
4112.425 Da
Max. entity weight
3484.832 Da
Entity Connection
disulfide 3 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS3:SG1:CYS18:SG
2disulfidesing1:CYS12:SG1:CYS24:SG
3disulfidesing1:CYS17:SG1:CYS31:SG

Source organism
Hevea brasiliensis
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 90.4 %, Completeness (bb): 94.1 % Detail
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Polymer type: polypeptide(L)

Total1H
All90.4 % (161 of 178)90.4 % (161 of 178)
Backbone94.1 % (64 of 68)94.1 % (64 of 68)
Sidechain88.2 % (97 of 110)88.2 % (97 of 110)
Aromatic87.5 % (14 of 16)87.5 % (14 of 16)
Methyl100.0 % (6 of 6)100.0 % (6 of 6)

1. hevein

EQCGRQAGGK LCPNNLCCSQ WGWCGSTDEY CS

Show sample condition
Sample

Temperature 298 (±0.2) K, pH 5.8 (±0.2)


#NameIsotope labelingTypeConcentration
1hevein0.5 mM
2TRIACETYLCHITOTRIOSE3 mM
3Phosphate buffer20 mM
4NaCl100 mM
5H2O90 %
6D2O10 %

Protein Blocks Logo
Calculated from 6 models in PDB: 1HEV, Strand ID: A Detail

Release date
2004-10-12
Citation 1
NMR and modeling studies of protein-carbohydrate interactions: synthesis, three-dimensional structure, and recognition properties of a minimum hevein domain with binding affinity for chitooligosaccharides
Aboitiz, N., Vila-Perello, M., Groves, P., Asensio, J.L., Andreu, D., Canada, F.JAVIER., Jimenez-Barbero, J.
Chembiochem. (2004), 5, 1245-1255, PubMed 15368576 , DOI 10.1002/cbic.200400025 ,
Show more 5 citaions
Citation 2
The interaction of hevein with N-acetylglucosamine-containing oligosaccharides. Solution structure of hevein complexed to chitobiose
Asensio, J.L., Canada, F.J., Bruix, M., Rodriguez-Romero, A., Jimenez-Barbero, J.
Eur. J. Biochem. (1995), 230, 621-633, PubMed 7607237 , DOI 10.1111/j.1432-1033.1995.tb20604.x ,
Citation 3
H NMR study of the solution structure of Ac-AMP2, a sugar binding antimicrobial protein isolated from Amaranthus caudatus
Martins, J.C., Maes, D., Loris, R., Pepermans, H.A., Wyns, L., Willem, R., Verheyden, P.
J. Mol. Biol. (1996), 258, 322-333, PubMed 8627629 , DOI: ,
Citation 4
NMR investigations of protein-carbohydrate interactions: refined three-dimensional structure of the complex between hevein and methyl beta-chitobioside
Asensio, J.L., Canada, F.J., Bruix, M., Gonzalez, C., Khiar, N., Rodriguez-Romero, A., Jimenez-Barbero, J.
Glycobiology (1998), 8, 569-577, PubMed 9592123 , DOI: ,
Citation 5
NMR investigations of protein-carbohydrate interactions: studies on the relevance of Trp/Tyr variations in lectin binding sites as deduced from titration microcalorimetry and NMR studies on hevein domains. Determination of the NMR structure of the complex between pseudohevein and N,N',N"-triacetylchitotriose
Asensio, J.L., Siebert, H.C., von Der Lieth, C.W., Laynez, J., Bruix, M., Soedjanaamadja, U.M., Beintema, J.J., Canada, F.J., Gabius, H.J., Jimenez-Barbero, J.
Proteins (2000), 40, 218-236, PubMed 10842338 , DOI: ,
Citation 6
Structural basis for chitin recognition by defense proteins: GlcNAc residues are bound in a multivalent fashion by extended binding sites in hevein domains
Asensio, J.L., Canada, F.J., Siebert, H.C., Laynez, J., Poveda, A., Nieto, P.M., Soedjanaamadja, U.M., Gabius, H.J., Jimenez-Barbero, J.
Chem. Biol. (2000), 7, 529-543, PubMed 10903932 , DOI: ,
Related entities 1. hevein, : 1 : 4 : 2 : 213 entities Detail
More details for 220 related entities
Experiments performed 2 experiments Detail
nullKeywords carbohydrate, hevein, Molecular Dynamics, molecular recognition, NMR, protein