Chlorine in PDB 1el8: Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate

All present enzymatic activity of Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate:
1.5.3.1;

The structure of Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate, PDB code: 1el8 was solved by M.A.Wagner, P.Trickey, Z.-W.Chen, 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)	500.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.687, 69.333, 73.300, 90.00, 94.14, 90.00
R / Rfree (%)	19.3 / 22.9

The binding sites of Chlorine atom in the Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate (pdb code 1el8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate, PDB code: 1el8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:24.9 occ:1.00 O3' A:FAD400 3.0 21.7 1.0 N A:GLY344 3.1 22.5 1.0 O A:HOH863 3.1 27.4 1.0 C3' A:FAD400 3.4 21.0 1.0 N A:THR318 3.4 21.9 1.0 N A:SER343 3.6 21.4 1.0 C A:PHE342 3.7 21.9 1.0 CB A:PHE342 3.7 22.7 1.0 CA A:TYR317 3.7 23.3 1.0 CA A:GLY344 3.8 23.5 1.0 O A:HOH900 3.9 21.1 1.0 CA A:PHE342 4.0 22.2 1.0 C A:TYR317 4.0 24.7 1.0 C A:SER343 4.1 22.6 1.0 O A:PHE342 4.1 24.7 1.0 CA A:SER343 4.2 22.4 1.0 C5' A:FAD400 4.2 20.5 1.0 N A:PHE342 4.2 21.8 1.0 O A:MET316 4.2 22.5 1.0 O A:THR318 4.2 23.0 1.0 C1' A:FAD400 4.3 21.9 1.0 CB A:TYR317 4.4 22.6 1.0 CA A:THR318 4.5 23.1 1.0 C4' A:FAD400 4.5 20.8 1.0 C2' A:FAD400 4.6 20.9 1.0 CB A:THR318 4.6 23.5 1.0 C A:GLY344 4.7 22.9 1.0 C A:THR318 4.7 23.4 1.0 OG A:SER43 4.8 24.4 1.0 OG1 A:THR318 4.8 26.8 1.0 N A:TYR317 4.8 22.6 1.0 N A:HIS345 4.8 21.4 1.0 CB A:SER43 4.9 25.1 1.0 CD1 A:TYR317 4.9 21.6 1.0 C A:MET316 5.0 23.9 1.0 CG A:TYR317 5.0 22.9 1.0

Chlorine binding site 2 out of 2 in the Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylseleno]Cetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl814 b:24.3 occ:1.00 O B:HOH829 2.8 22.7 1.0 O3' B:FAD400 3.1 24.6 1.0 N B:GLY344 3.1 23.0 1.0 N B:THR318 3.3 23.1 1.0 C3' B:FAD400 3.5 22.1 1.0 CA B:TYR317 3.5 24.4 1.0 N B:SER343 3.6 22.5 1.0 C B:PHE342 3.8 23.0 1.0 CA B:GLY344 3.8 23.6 1.0 C B:TYR317 3.9 25.0 1.0 CB B:PHE342 3.9 21.1 1.0 O B:MET316 4.0 23.6 1.0 C B:SER343 4.1 24.3 1.0 CA B:PHE342 4.2 22.7 1.0 CA B:SER343 4.2 22.5 1.0 O B:HOH861 4.2 19.9 1.0 C5' B:FAD400 4.2 19.6 1.0 O B:PHE342 4.2 23.2 1.0 O B:THR318 4.3 24.3 1.0 CB B:TYR317 4.3 24.1 1.0 N B:PHE342 4.3 22.4 1.0 C1' B:FAD400 4.4 23.6 1.0 CA B:THR318 4.4 24.1 1.0 CB B:THR318 4.5 23.4 1.0 C4' B:FAD400 4.6 19.7 1.0 N B:TYR317 4.6 24.1 1.0 C2' B:FAD400 4.6 21.8 1.0 C B:THR318 4.7 23.1 1.0 OG1 B:THR318 4.7 25.3 1.0 OG B:SER43 4.7 23.5 1.0 CD1 B:TYR317 4.7 22.0 1.0 C B:GLY344 4.7 22.7 1.0 C B:MET316 4.8 24.4 1.0 CB B:SER43 4.8 21.2 1.0 CG B:TYR317 4.8 23.6 1.0 N B:HIS345 4.9 22.3 1.0

M.A.Wagner, P.Trickey, Z.W.Chen, F.S.Mathews, M.S.Jorns. Monomeric Sarcosine Oxidase: 1. Flavin Reactivity and Active Site Binding Determinants. Biochemistry V. 39 8813 2000.
ISSN: ISSN 0006-2960
PubMed: 10913292
DOI: 10.1021/BI000349Z