Bromine in PDB 1z76: Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide

All present enzymatic activity of Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide:
3.1.1.4;

The structure of Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide, PDB code: 1z76 was solved by A.J.Magro, A.A.Takeda, A.M.Soares, M.R.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.15 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.034, 83.226, 45.560, 90.00, 112.70, 90.00
R / Rfree (%)	20.2 / 25.1

The binding sites of Bromine atom in the Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide (pdb code 1z76). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide, PDB code: 1z76:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1048 b:21.1 occ:1.00 BR A:PBP1048 0.0 21.1 1.0 CZ A:PBP1048 2.0 17.1 1.0 CE1 A:PBP1048 3.0 16.4 1.0 CE2 A:PBP1048 3.0 18.4 1.0 CE2 B:PHE119 3.4 24.7 1.0 CZ B:PHE119 4.0 25.3 1.0 CA A:GLY30 4.0 21.9 1.0 CD2 B:PHE119 4.0 23.9 1.0 C A:GLY30 4.1 25.3 1.0 CD2 A:LEU31 4.1 35.5 1.0 CD1 A:LEU2 4.2 23.1 1.0 O A:LEU23 4.3 18.9 1.0 CD2 A:PBP1048 4.3 16.2 1.0 CD1 A:PBP1048 4.3 14.7 1.0 N A:LEU31 4.4 28.6 1.0 CG A:LEU23 4.4 20.5 1.0 CD2 A:LEU2 4.4 25.3 1.0 O A:GLY30 4.5 24.4 1.0 N A:GLY30 4.7 18.4 1.0 CD1 A:LEU23 4.7 21.3 1.0 CG A:LEU31 4.9 34.7 1.0 CG A:PBP1048 4.9 16.0 1.0 CE1 B:PHE119 4.9 26.4 1.0 CG A:LEU2 4.9 18.9 1.0 CB A:LEU23 4.9 19.2 1.0 CG B:PHE119 5.0 20.1 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of An Acidic Phospholipase A2 (Btha-I) From Bothrops Jararacussu Venom Complexed with P-Bromophenacyl Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2048 b:27.2 occ:1.00 BR B:PBP2048 0.0 27.2 1.0 CZ B:PBP2048 2.0 19.6 1.0 CE2 B:PBP2048 2.9 18.5 1.0 CE1 B:PBP2048 3.0 21.1 1.0 CZ A:PHE119 4.2 20.5 1.0 CD2 B:PBP2048 4.3 21.3 1.0 CD1 B:PBP2048 4.3 15.4 1.0 CA B:LEU23 4.4 20.0 1.0 CD1 A:LEU20 4.4 23.6 1.0 CE2 A:PHE119 4.6 23.1 1.0 CG B:LEU23 4.7 24.8 1.0 CD1 B:LEU23 4.7 27.8 1.0 CB B:LEU23 4.7 21.8 1.0 O B:LEU23 4.8 19.8 1.0 CG B:PBP2048 4.9 16.1 1.0 O B:TYR22 4.9 18.5 1.0 CD2 B:PHE5 5.0 16.3 1.0

A.J.Magro, A.A.Takeda, A.M.Soares, M.R.Fontes. Structure of Btha-I Complexed with P-Bromophenacyl Bromide: Possible Correlations with Lack of Pharmacological Activity. Acta Crystallogr.,Sect.D V. 61 1670 2005.
ISSN: ISSN 0907-4449
PubMed: 16301802
DOI: 10.1107/S0907444905029598