Chlorine in PDB 4e9x: Multicopper Oxidase Mglac (DATA3)

The structure of Multicopper Oxidase Mglac (DATA3), PDB code: 4e9x was solved by H.Komori, K.Miyazaki, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.737, 101.159, 123.982, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / n/a

The structure of Multicopper Oxidase Mglac (DATA3) also contains other interesting chemical elements:

Copper

(Cu)

12 atoms

The binding sites of Chlorine atom in the Multicopper Oxidase Mglac (DATA3) (pdb code 4e9x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Multicopper Oxidase Mglac (DATA3), PDB code: 4e9x:

Chlorine binding site 1 out of 1 in the Multicopper Oxidase Mglac (DATA3)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Multicopper Oxidase Mglac (DATA3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1406 b:11.9 occ:1.00 O A:HOH5251 2.6 40.9 1.0 O A:HOH5050 2.7 28.2 1.0 N A:GLY1277 3.2 10.7 1.0 N A:LYS1185 3.2 9.8 1.0 CA A:LYS1184 3.8 10.4 1.0 N A:ASP1276 3.8 8.9 1.0 CB A:TYR1275 3.8 9.2 1.0 CA A:GLY1277 3.8 11.8 1.0 CD2 A:TYR1275 3.9 9.0 1.0 CB A:LYS1185 4.0 12.0 1.0 C A:LYS1184 4.0 9.4 1.0 CB A:LYS1184 4.1 13.4 1.0 CA A:LYS1185 4.2 10.0 1.0 C A:ASP1276 4.2 9.9 1.0 C A:TYR1275 4.2 8.4 1.0 CB A:ASP1276 4.3 12.4 1.0 CA A:ASP1276 4.4 10.0 1.0 CG A:TYR1275 4.4 8.4 1.0 CA A:TYR1275 4.5 8.5 1.0 CG A:PRO1246 4.5 12.8 1.0 CB A:PRO1246 4.6 12.1 1.0 O A:VAL1183 4.7 10.0 1.0 O A:HOH5154 4.9 15.1 1.0 C A:GLY1277 4.9 11.0 1.0 O A:TYR1275 4.9 9.5 1.0 CE2 A:TYR1275 5.0 8.7 1.0 N A:LYS1184 5.0 10.2 1.0

H.Komori, R.Sugiyama, K.Kataoka, K.Miyazaki, Y.Higuchi, T.Sakurai. New Insights Into the Catalytic Active-Site Structure of Multicopper Oxidases. Acta Crystallogr.,Sect.D V. 70 772 2014.
ISSN: ESSN 1399-0047
PubMed: 24598746
DOI: 10.1107/S1399004713033051