Chlorine in PDB 1el9: Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylthio]Acetate

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

The structure of Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylthio]Acetate, PDB code: 1el9 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 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.762, 69.587, 73.765, 90.00, 94.02, 90.00
R / Rfree (%)	17.4 / 21.6

The binding sites of Chlorine atom in the Complex of Monomeric Sarcosine Oxidase with the Inhibitor [Methylthio]Acetate (pdb code 1el9). 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 [Methylthio]Acetate, PDB code: 1el9:
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 [Methylthio]Acetate


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 [Methylthio]Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:17.8 occ:1.00 O A:HOH825 2.9 20.2 1.0 N A:GLY344 3.0 14.0 1.0 O3' A:FAD400 3.0 12.5 1.0 N A:THR318 3.4 18.2 1.0 C3' A:FAD400 3.5 12.4 1.0 CA A:TYR317 3.6 15.5 1.0 CA A:GLY344 3.7 14.2 1.0 N A:SER343 3.8 14.1 1.0 C A:PHE342 3.8 15.0 1.0 CB A:PHE342 4.0 14.7 1.0 C A:TYR317 4.0 16.5 1.0 O A:MSE316 4.0 14.1 1.0 C A:SER343 4.0 16.2 1.0 O A:PHE342 4.1 16.9 1.0 O A:HOH853 4.2 17.0 1.0 CA A:SER343 4.2 15.3 1.0 C5' A:FAD400 4.2 9.7 1.0 CA A:PHE342 4.2 14.9 1.0 C1' A:FAD400 4.3 13.2 1.0 CB A:TYR317 4.4 14.4 1.0 O A:THR318 4.4 21.0 1.0 N A:PHE342 4.5 13.8 1.0 CA A:THR318 4.5 18.7 1.0 OG A:SER43 4.6 19.6 1.0 C A:GLY344 4.6 15.2 1.0 C4' A:FAD400 4.6 10.9 1.0 C2' A:FAD400 4.6 13.6 1.0 CB A:THR318 4.7 21.3 1.0 N A:TYR317 4.7 15.1 1.0 CB A:SER43 4.7 16.1 1.0 CD1 A:TYR317 4.8 11.9 1.0 N A:HIS345 4.8 13.7 1.0 C A:MSE316 4.8 15.3 1.0 C A:THR318 4.8 20.4 1.0 CG A:TYR317 4.9 13.6 1.0 OG1 A:THR318 4.9 20.9 1.0

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


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 [Methylthio]Acetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl814 b:17.1 occ:1.00 O B:HOH824 2.8 18.7 1.0 O3' B:FAD400 3.1 14.7 1.0 N B:GLY344 3.2 14.9 1.0 N B:THR318 3.3 17.3 1.0 C3' B:FAD400 3.5 13.4 1.0 CA B:TYR317 3.6 16.0 1.0 CA B:GLY344 3.8 15.7 1.0 N B:SER343 3.8 15.0 1.0 C B:TYR317 3.8 17.2 1.0 O B:HOH823 3.9 12.9 1.0 C B:PHE342 3.9 15.5 1.0 O B:MSE316 4.0 16.3 1.0 CB B:PHE342 4.1 14.6 1.0 C B:SER343 4.2 15.6 1.0 C5' B:FAD400 4.2 14.6 1.0 O B:PHE342 4.2 15.1 1.0 CA B:SER343 4.3 15.9 1.0 CA B:PHE342 4.3 16.2 1.0 O B:THR318 4.3 18.6 1.0 CB B:TYR317 4.3 15.7 1.0 CA B:THR318 4.4 18.7 1.0 OG B:SER43 4.4 18.1 1.0 C1' B:FAD400 4.4 13.9 1.0 CB B:THR318 4.5 17.9 1.0 N B:PHE342 4.5 16.1 1.0 C4' B:FAD400 4.6 13.4 1.0 N B:TYR317 4.6 17.5 1.0 CB B:SER43 4.6 17.8 1.0 C B:THR318 4.7 19.0 1.0 C B:MSE316 4.7 15.4 1.0 OG1 B:THR318 4.7 20.3 1.0 C2' B:FAD400 4.7 13.9 1.0 C B:GLY344 4.8 14.9 1.0 CD1 B:TYR317 4.8 15.6 1.0 CG B:TYR317 4.9 16.2 1.0 N B:HIS345 5.0 14.2 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