PDBsum entry 6ebx

Toxin

PDB id: 6ebx

Contents

Protein chains

62 a.a. *

Ligands

SCN

Waters ×97

* Residue conservation analysis

PDB id:

6ebx

Name:

Toxin

Title:

Structure determination of a dimeric form of erabutoxin b, crystallized from thiocyanate solution

Structure:

Erabutoxin b. Chain: a, b. Engineered: yes

Source:

Laticauda semifasciata. Broad-banded blue sea krait. Organism_taxid: 8631

Resolution:

1.70Å R-factor: 0.194

Authors:

T.Prange,P.Saludjian

Key ref:

P.Saludjian et al. (1992). Structure determination of a dimeric form of erabutoxin-b, crystallized from a thiocyanate solution. Acta Crystallogr B, 48, 520-531. PubMed id: 1418823

Date:

31-May-91 Release date: 15-Jan-93

Protein chains

Q90VW1  (3S1EB_LATSE) -  Erabutoxin b from Laticauda semifasciata

Seq: 83 a.a.

Struc: 62 a.a.

Acta Crystallogr B 48:520-531 (1992)

PubMed id: 1418823

Structure determination of a dimeric form of erabutoxin-b, crystallized from a thiocyanate solution.

P.Saludjian, T.Prangé, J.Navaza, R.Ménez, J.P.Guilloteau, M.Riès-Kautt, A.Ducruix.

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.