Zinc in PDB 3dsl: The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom.

All present enzymatic activity of The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom.:
3.4.24.49;

The structure of The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom., PDB code: 3dsl was solved by J.R.C.Muniz, A.Ambrosio, H.S.Selistre-De-Araujo, G.Oliva, R.C.Garratt, D.H.F.Souza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.44 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.757, 100.271, 133.237, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 29.4

The structure of The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom. also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Zinc atom in the The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom. (pdb code 3dsl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom., PDB code: 3dsl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:33.2 occ:1.00 O A:TRP505 2.1 16.8 1.0 NE2 A:HIS145 2.1 23.6 1.0 CE1 A:HIS155 2.1 34.0 1.0 NE2 A:HIS149 2.2 25.1 1.0 C A:TRP505 2.7 16.8 1.0 OXT A:TRP505 2.7 16.8 1.0 NE2 A:HIS155 2.9 33.3 1.0 CE1 A:HIS145 3.0 22.4 1.0 CD2 A:HIS149 3.1 26.8 1.0 CE1 A:HIS149 3.1 24.5 1.0 ND1 A:HIS155 3.2 33.9 1.0 CD2 A:HIS145 3.2 23.1 1.0 CD1 A:TRP505 3.6 16.8 1.0 CA A:TRP505 4.1 16.8 1.0 NE1 A:TRP505 4.1 16.8 1.0 CG A:TRP505 4.1 16.8 1.0 ND1 A:HIS149 4.1 23.5 1.0 ND1 A:HIS145 4.2 25.7 1.0 CG A:HIS149 4.2 24.7 1.0 CD2 A:HIS155 4.2 30.9 1.0 CE A:MET169 4.3 22.9 1.0 CG A:HIS145 4.3 21.9 1.0 CG A:HIS155 4.3 32.7 1.0 CB A:TRP505 4.6 16.8 1.0 N A:TRP505 4.7 16.8 1.0 CE2 A:TRP505 4.8 16.8 1.0 CD2 A:TRP505 4.8 16.8 1.0 OE2 A:GLU146 4.9 25.9 1.0

Zinc binding site 2 out of 2 in the The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1 b:48.7 occ:1.00 NE2 B:HIS149 2.0 44.3 1.0 OXT A:TRP507 2.3 53.4 1.0 NE2 B:HIS145 2.3 39.1 1.0 O A:TRP507 2.5 53.4 1.0 C A:TRP507 2.7 53.4 1.0 CE1 B:HIS155 2.8 66.5 1.0 CD2 B:HIS149 2.9 41.1 1.0 CE1 B:HIS149 3.1 45.6 1.0 CD2 B:HIS145 3.2 36.4 1.0 CE1 B:HIS145 3.3 41.0 1.0 ND1 B:HIS155 3.5 67.0 1.0 NE2 B:HIS155 3.9 66.8 1.0 CD1 A:TRP507 4.0 53.4 1.0 CA A:TRP507 4.1 53.4 1.0 CG B:HIS149 4.1 38.1 1.0 CG A:TRP507 4.1 53.4 1.0 ND1 B:HIS149 4.1 42.5 1.0 CG B:HIS145 4.3 36.7 1.0 CB A:TRP507 4.4 53.4 1.0 ND1 B:HIS145 4.4 38.5 1.0 NE1 A:TRP507 4.5 53.4 1.0 OE2 B:GLU146 4.7 59.6 1.0 CD2 A:TRP507 4.7 53.4 1.0 CG B:HIS155 4.8 69.1 1.0 CE B:MET169 4.8 42.1 1.0 OE1 B:GLU146 4.9 57.6 1.0 CE2 A:TRP507 4.9 53.4 1.0 CD2 B:HIS155 5.0 67.8 1.0 N A:TRP507 5.0 53.4 1.0

J.R.Muniz, A.L.Ambrosio, H.S.Selistre-De-Araujo, M.R.Cominetti, A.M.Moura-Da-Silva, G.Oliva, R.C.Garratt, D.H.Souza. The Three-Dimensional Structure of Bothropasin, the Main Hemorrhagic Factor From Bothrops Jararaca Venom: Insights For A New Classification of Snake Venom Metalloprotease Subgroups. Toxicon V. 52 807 2008.
ISSN: ISSN 0041-0101
PubMed: 18831982
DOI: 10.1016/J.TOXICON.2008.08.021