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1CJP

CONCANAVALIN A COMPLEX WITH 4'-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE

Summary for 1CJP
Entry DOI10.2210/pdb1cjp/pdb
DescriptorCONCANAVALIN A, 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE, MANGANESE (II) ION, ... (5 entities in total)
Functional Keywordslegume lectin, lectin
Biological sourceCanavalia ensiformis (jack bean)
Total number of polymer chains4
Total formula weight104222.84
Authors
Hamodrakas, S.J.,Kanellopoulos, P.N.,Tucker, P.A. (deposition date: 1996-10-03, release date: 1997-10-15, Last modification date: 2024-05-22)
Primary citationHamodrakas, S.J.,Kanellopoulos, P.N.,Pavlou, K.,Tucker, P.A.
The crystal structure of the complex of concanavalin A with 4'-methylumbelliferyl-alpha-D-glucopyranoside.
J.Struct.Biol., 118:23-30, 1997
Cited by
PubMed Abstract: Concanavalin A (Con A) is the best known plant lectin, with important biological properties arising from its specific saccharide-binding ability. Its exact biological role still remains unknown. The complex of Con A with 4'-methylumbelliferyl-alpha-D-glucopyranoside (alpha-MUG) has been crystallized in space group P2(1) with cell dimensions a = 81.62 A, b = 128.71 A, c = 82.23 A, and beta = 118.47 degrees. X-ray diffraction intensities to 2.78 A have been collected. The structure of the complex was solved by molecular replacement and refined by simulated annealing methods to a crystallographic R-factor value of 0.182 and a free-R-factor value of 0.216. The asymmetric unit contains four subunits arranged as a tetramer, with approximate 222 symmetry. A saccharide molecule is bound in the sugar-binding site at the surface of each subunit, with the nonsugar (aglycon) part adopting a different orientation in each subunit. The aglycon orientation, although probably determined by packing of tetramers in the crystal lattice, helps to characterize the orientation of the saccharide in the sugar-binding pocket. The structure is the best determined alpha-D-glucoside:Con A complex to date and the hydrogen bonding network in the saccharide-binding site can be described with some confidence and compared with that of the alpha-D-mannosides.
PubMed: 9087912
DOI: 10.1006/jsbi.1996.3837
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.78 Å)
Structure validation

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數據於2025-07-09公開中

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