Calcium in PDB 1bud: Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0

The structure of Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0, PDB code: 1bud was solved by W.Gong, X.Zhu, S.Liu, M.Teng, L.Niu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.470, 63.470, 95.490, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / n/a

The structure of Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0 (pdb code 1bud). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0, PDB code: 1bud:

Calcium binding site 1 out of 1 in the Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Acutolysin A From Snake Venom of Agkistrodon Acutus at pH 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca900 b:9.3 occ:1.00 OE2 A:GLU9 2.0 20.3 1.0 OD1 A:ASP93 2.2 10.5 1.0 O A:HOH562 2.3 9.4 1.0 O A:CYS197 2.3 8.4 1.0 OD2 A:ASP93 2.4 10.3 1.0 OD1 A:ASN200 2.5 21.5 1.0 CG A:ASP93 2.6 12.3 1.0 CD A:GLU9 3.2 21.5 1.0 CG A:ASN200 3.5 23.6 1.0 C A:CYS197 3.5 7.9 1.0 CG A:GLU9 3.8 17.5 1.0 ND2 A:ASN200 3.9 22.4 1.0 CB A:ASP93 4.2 10.5 1.0 OE1 A:GLU9 4.2 19.8 1.0 CA A:CYS197 4.4 9.1 1.0 CB A:GLU9 4.4 11.4 1.0 O A:HOH542 4.4 41.5 1.0 CB A:CYS197 4.4 12.3 1.0 O A:TYR7 4.4 9.4 1.0 N A:ILE198 4.5 8.9 1.0 CA A:ILE198 4.5 9.9 1.0 O A:ASN200 4.6 25.6 1.0 N A:GLU9 4.7 7.1 1.0 CB A:ASN200 4.9 22.7 1.0 N A:ASP93 4.9 13.2 1.0

W.Gong, X.Zhu, S.Liu, M.Teng, L.Niu. Crystal Structures of Acutolysin A, A Three-Disulfide Hemorrhagic Zinc Metalloproteinase From the Snake Venom of Agkistrodon Acutus. J.Mol.Biol. V. 283 657 1998.
ISSN: ISSN 0022-2836
PubMed: 9784374
DOI: 10.1006/JMBI.1998.2110