6EBX

STRUCTURE DETERMINATION OF A DIMERIC FORM OF ERABUTOXIN B, CRYSTALLIZED FROM THIOCYANATE SOLUTION

Summary for 6EBX

• Entry DOI: 10.2210/pdb6ebx/pdb
• Descriptor: ERABUTOXIN B, THIOCYANATE ION (3 entities in total)
• Functional Keywords: toxin
• Biological source: Laticauda semifasciata (broad-banded blue sea krait)
• Cellular location: Secreted : Q90VW1
• Total number of polymer chains: 2
• Total formula weight: 13813.60

Authors

Prange, T.,Saludjian, P. (deposition date: 1991-05-31, release date: 1993-01-15, Last modification date: 2024-10-23)

Primary citation

Saludjian, P.,Prange, T.,Navaza, J.,Menez, R.,Guilloteau, J.P.,Ries-Kautt, M.,Ducruix, A.
Structure determination of a dimeric form of erabutoxin-b, crystallized from a thiocyanate solution.
Acta Crystallogr.,Sect.B, 48:520-531, 1992

PubMed Abstract: Erabutoxin-b, M(r) = 6861.1, a single 62 amino-acid chain folded by four disulfide bridges, was crystallized in a new orthorhombic form by using thiocyanate as crystallizing agent. The space group is P2(1)2(1)2(1) with a = 53.36 (4), b = 40.89 (4), c = 55.71 (5) A, V = 121533.1 A and Z = 8. X-ray diffraction data were recorded at the LURE synchrotron facility (lambda = 1.405 A). The structure was solved by molecular replacement and shows a dimeric association through an anti-parallel beta-sheet around the twofold non-crystallographic axis. The two independent molecules, one SCN- ion and 97 associated water molecules were refined by molecular dynamics and annealing techniques to R = 19.6% (10,913 Fobs, resolution 5-1.7 A). The thiocyanate ion is located at the interface of the dimer and close to the non-crystallographic twofold axis.

PubMed: 1418823
DOI: 10.1107/S010876819200096X

Experimental method

X-RAY DIFFRACTION (1.7 Å)