Chlorine in PDB 3qse: Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine

All present enzymatic activity of Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine:
1.5.3.1;

The structure of Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine, PDB code: 3qse was solved by P.Kommoju, Z.Chen, R.C.Bruckner, F.S.Mathews, M.S.Jorns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.19 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.172, 69.724, 72.945, 90.00, 92.32, 90.00
R / Rfree (%)	18.4 / 21.7

The binding sites of Chlorine atom in the Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine (pdb code 3qse). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine, PDB code: 3qse:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:18.4 occ:1.00 O A:HOH1026 3.0 18.7 1.0 O3' A:FAD400 3.1 16.1 1.0 N A:GLY344 3.2 17.0 1.0 N A:THR318 3.3 19.9 1.0 C3' A:FAD400 3.5 14.4 1.0 CA A:TYR317 3.5 18.0 1.0 N A:SER343 3.6 16.6 1.0 C A:PHE342 3.8 17.4 1.0 C A:TYR317 3.9 20.2 1.0 CB A:PHE342 3.9 18.4 1.0 CA A:GLY344 4.0 17.5 1.0 O A:HOH1038 4.0 19.9 1.0 CA A:PHE342 4.1 16.1 1.0 O A:MET316 4.2 18.6 1.0 C A:SER343 4.2 16.1 1.0 C5' A:FAD400 4.2 12.7 1.0 CA A:SER343 4.2 17.9 1.0 CB A:TYR317 4.2 18.5 1.0 O A:PHE342 4.2 17.5 1.0 N A:PHE342 4.3 17.9 1.0 O A:THR318 4.3 19.8 1.0 C1' A:FAD400 4.3 17.6 1.0 CA A:THR318 4.4 18.9 1.0 CB A:THR318 4.5 17.3 1.0 C4' A:FAD400 4.6 12.8 1.0 C2' A:FAD400 4.6 13.8 1.0 OG A:SER43 4.7 18.1 1.0 C A:THR318 4.7 18.9 1.0 OG1 A:THR318 4.7 22.4 1.0 N A:TYR317 4.7 18.4 1.0 CD1 A:TYR317 4.7 16.3 1.0 CG A:TYR317 4.8 16.2 1.0 C A:MET316 4.9 17.4 1.0 C A:GLY344 4.9 18.6 1.0 CB A:SER43 4.9 11.6 1.0 N A:HIS345 5.0 18.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure For the Complex of Substrate-Reduced Msox with Sarcosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:18.0 occ:1.00 O B:HOH1015 3.0 16.8 1.0 O3' B:FAD400 3.1 15.5 1.0 N B:GLY344 3.2 14.9 1.0 N B:THR318 3.3 14.8 1.0 CA B:TYR317 3.5 16.7 1.0 C3' B:FAD400 3.5 13.8 1.0 N B:SER343 3.6 18.0 1.0 C B:PHE342 3.7 15.2 1.0 C B:TYR317 3.8 16.2 1.0 CA B:GLY344 3.9 15.7 1.0 CB B:PHE342 3.9 14.4 1.0 O B:HOH1112 4.1 22.4 1.0 O B:PHE342 4.1 15.0 1.0 CA B:PHE342 4.1 14.9 1.0 C B:SER343 4.1 15.1 1.0 O B:MET316 4.1 18.0 1.0 CA B:SER343 4.2 16.2 1.0 CB B:TYR317 4.2 17.2 1.0 C5' B:FAD400 4.2 15.3 1.0 C1' B:FAD400 4.2 12.9 1.0 O B:THR318 4.3 18.1 1.0 N B:PHE342 4.3 17.0 1.0 CA B:THR318 4.4 16.0 1.0 CB B:THR318 4.6 14.5 1.0 C4' B:FAD400 4.6 16.0 1.0 C2' B:FAD400 4.6 12.0 1.0 N B:TYR317 4.6 17.1 1.0 C B:THR318 4.7 17.7 1.0 CD1 B:TYR317 4.7 11.4 1.0 OG B:SER43 4.7 17.4 1.0 OG1 B:THR318 4.7 20.4 1.0 CG B:TYR317 4.7 14.2 1.0 C B:MET316 4.8 17.6 1.0 C B:GLY344 4.8 14.1 1.0 CB B:SER43 4.9 16.2 1.0 N B:HIS345 5.0 15.3 1.0 O B:TYR317 5.0 17.3 1.0

P.R.Kommoju, Z.W.Chen, R.C.Bruckner, F.S.Mathews, M.S.Jorns. Probing Oxygen Activation Sites in Two Flavoprotein Oxidases Using Chloride As An Oxygen Surrogate. Biochemistry V. 50 5521 2011.
ISSN: ISSN 0006-2960
PubMed: 21568312
DOI: 10.1021/BI200388G