Arsenic in PDB 1ff3: Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli

The structure of Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli, PDB code: 1ff3 was solved by F.Tete-Favier, D.Cobessi, S.Boschi-Muller, S.Azza, G.Branlant, A.Aubry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.500, 102.500, 292.300, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 21.8

The binding sites of Arsenic atom in the Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli (pdb code 1ff3). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli, PDB code: 1ff3:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:As51 b:22.2 occ:1.00 AS A:CAS51 0.0 22.2 1.0 CE2 A:CAS51 2.2 19.9 1.0 CE1 A:CAS51 2.2 19.6 1.0 SG A:CAS51 2.3 18.5 1.0 O A:HOH618 3.1 21.1 1.0 CB A:CAS51 3.1 18.0 1.0 CA A:CAS51 3.7 15.4 1.0 OE1 A:GLU94 3.8 16.3 1.0 OH A:TYR82 4.0 18.9 1.0 CE1 A:TYR134 4.1 19.4 1.0 C A:CAS51 4.4 15.1 1.0 OH A:TYR134 4.4 20.2 1.0 OE2 A:GLU94 4.5 18.4 1.0 N A:PHE52 4.5 14.1 1.0 CD A:GLU94 4.5 16.3 1.0 CD2 A:TRP53 4.7 15.3 1.0 CZ A:TYR134 4.7 20.2 1.0 CG A:TRP53 4.8 14.9 1.0 CE3 A:TRP53 4.8 16.2 1.0 N A:CAS51 4.9 15.2 1.0 CE2 A:TRP53 4.9 16.9 1.0

Arsenic binding site 2 out of 3 in the Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:As51 b:21.8 occ:0.50 AS B:CAS51 0.0 21.8 0.5 CE2 B:CAS51 2.2 21.4 0.5 SG B:CAS51 2.2 20.2 1.0 CE1 B:CAS51 2.3 21.2 0.5 CB B:CAS51 3.1 18.8 1.0 OE1 B:GLU94 3.7 16.6 1.0 CA B:CAS51 3.7 17.0 1.0 OH B:TYR82 3.7 33.6 1.0 CE1 B:TYR134 4.3 17.6 1.0 OE2 B:GLU94 4.3 17.0 1.0 CD B:GLU94 4.4 18.5 1.0 C B:CAS51 4.5 16.6 1.0 CD2 B:TRP53 4.5 20.9 1.0 N B:PHE52 4.5 16.6 1.0 CE3 B:TRP53 4.6 22.6 1.0 CE2 B:TRP53 4.6 20.5 1.0 OH B:TYR134 4.7 18.5 1.0 CG B:TRP53 4.8 19.7 1.0 CZ B:TYR82 4.9 30.2 1.0 OD2 B:ASP129 4.9 24.2 1.0 CZ3 B:TRP53 4.9 22.1 1.0 CZ2 B:TRP53 4.9 22.6 1.0 N B:CAS51 5.0 17.2 1.0 CZ B:TYR134 5.0 16.9 1.0

Arsenic binding site 3 out of 3 in the Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of the Peptide Methionine Sulfoxide Reductase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:As51 b:31.3 occ:0.50 AS C:CAS51 0.0 31.3 0.5 CE2 C:CAS51 2.2 29.7 0.5 SG C:CAS51 2.2 29.4 1.0 CE1 C:CAS51 2.2 30.0 0.5 O C:HOH242 2.5 34.3 1.0 CB C:CAS51 3.1 28.4 1.0 OE1 C:GLU94 3.6 25.2 1.0 CA C:CAS51 3.7 27.3 1.0 CE1 C:TYR134 4.1 28.4 1.0 OH C:TYR82 4.1 31.4 1.0 OE2 C:GLU94 4.1 25.3 1.0 CD C:GLU94 4.3 23.7 1.0 OH C:TYR134 4.4 28.7 1.0 C C:CAS51 4.5 25.5 1.0 CD2 C:TRP53 4.5 27.0 1.0 N C:PHE52 4.6 24.3 1.0 CE2 C:TRP53 4.6 27.1 1.0 CE3 C:TRP53 4.7 27.6 1.0 CZ C:TYR134 4.7 27.3 1.0 CG C:TRP53 4.9 25.9 1.0 N C:CAS51 4.9 27.8 1.0 CZ2 C:TRP53 4.9 29.3 1.0 CZ3 C:TRP53 5.0 29.8 1.0

F.Tete-Favier, D.Cobessi, S.Boschi-Muller, S.Azza, G.Branlant, A.Aubry. Crystal Structure of the Escherichia Coli Peptide Methionine Sulphoxide Reductase at 1.9 A Resolution. Structure Fold.Des. V. 8 1167 2000.
ISSN: ISSN 0969-2126
PubMed: 11080639
DOI: 10.1016/S0969-2126(00)00526-8