Chlorine in PDB 2a89: Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme

All present enzymatic activity of Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme:
1.5.3.1;

The structure of Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme, PDB code: 2a89 was solved by Z.-W.Chen, G.Zhao, S.Martinovic, M.S.Jorns, F.S.Mathews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.279, 69.059, 74.127, 90.00, 94.13, 90.00
R / Rfree (%)	17.8 / 22.1

The binding sites of Chlorine atom in the Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme (pdb code 2a89). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme, PDB code: 2a89:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1402 b:9.4 occ:1.00 O3' A:FCG1400 3.0 8.3 1.0 N A:GLY344 3.0 10.2 1.0 O A:HOH1408 3.1 11.1 1.0 N A:THR318 3.4 8.1 1.0 C3' A:FCG1400 3.5 5.7 1.0 CA A:TYR317 3.7 8.4 1.0 N A:SER343 3.7 10.4 1.0 C A:PHE342 3.8 10.4 1.0 CA A:GLY344 3.8 12.0 1.0 CB A:PHE342 3.9 8.2 1.0 C A:TYR317 4.0 9.6 1.0 C A:SER343 4.0 11.7 1.0 O A:HOH1458 4.1 11.3 1.0 O A:PHE342 4.1 10.1 1.0 CA A:SER343 4.2 10.4 1.0 CA A:PHE342 4.2 8.7 1.0 O A:MET316 4.2 9.9 1.0 C5' A:FCG1400 4.2 5.1 1.0 O A:THR318 4.3 5.8 1.0 C1' A:FCG1400 4.3 6.2 1.0 N A:PHE342 4.4 9.8 1.0 CA A:THR318 4.4 6.4 1.0 CB A:TYR317 4.4 9.9 1.0 CB A:THR318 4.5 11.8 1.0 C4' A:FCG1400 4.6 2.0 1.0 C2' A:FCG1400 4.6 5.5 1.0 CD1 A:TYR317 4.7 9.4 1.0 C A:THR318 4.7 9.3 1.0 C A:GLY344 4.7 11.1 1.0 N A:HIS345 4.8 12.5 1.0 N A:TYR317 4.8 7.9 1.0 OG1 A:THR318 4.8 10.7 1.0 CG A:TYR317 4.8 11.3 1.0 OG A:SER43 4.8 10.9 1.0 C A:MET316 4.9 10.4 1.0 CB A:SER43 4.9 8.1 1.0

Chlorine binding site 2 out of 3 in the Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1403 b:16.7 occ:1.00 O B:HOH2425 2.7 6.5 1.0 O B:HOH2433 2.7 15.1 1.0 O A:HOH1420 2.7 11.0 1.0 O A:HOH1481 2.9 10.0 1.0 O B:HOH2729 2.9 31.6 1.0 ND2 B:ASN293 3.0 10.9 1.0 ND2 A:ASN293 3.3 13.9 1.0 CG B:ASN293 4.0 12.4 1.0 O B:HOH2465 4.0 10.4 1.0 OD1 B:ASN293 4.1 13.2 1.0 O A:HOH1424 4.1 11.6 1.0 CG A:ASN293 4.2 18.2 1.0 O A:HOH1566 4.2 18.6 1.0 OD1 A:ASN293 4.2 17.0 1.0 O A:HOH1715 4.6 28.7 1.0 O B:HOH2781 4.8 29.3 1.0

Chlorine binding site 3 out of 3 in the Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Monomeric Sarcosine Oxidase: Structure of A Covalently Flavinylated Amine Oxidizing Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2402 b:10.4 occ:1.00 O B:HOH2413 2.8 6.2 1.0 O3' B:FCG2400 3.1 7.4 1.0 N B:GLY344 3.1 11.9 1.0 N B:THR318 3.2 7.1 1.0 CA B:TYR317 3.6 4.9 1.0 C3' B:FCG2400 3.6 5.9 1.0 N B:SER343 3.7 9.9 1.0 C B:PHE342 3.8 8.2 1.0 C B:TYR317 3.8 5.2 1.0 CA B:GLY344 3.9 10.4 1.0 O B:HOH2403 3.9 6.7 1.0 CB B:PHE342 4.0 6.0 1.0 C B:SER343 4.1 11.6 1.0 O B:MET316 4.1 7.7 1.0 CA B:SER343 4.2 10.8 1.0 O B:THR318 4.2 5.0 1.0 O B:PHE342 4.2 8.2 1.0 CA B:PHE342 4.2 8.5 1.0 CA B:THR318 4.2 6.7 1.0 C5' B:FCG2400 4.2 6.4 1.0 CB B:TYR317 4.3 7.9 1.0 N B:PHE342 4.4 9.7 1.0 CB B:THR318 4.4 7.9 1.0 C1' B:FCG2400 4.4 8.0 1.0 C B:THR318 4.5 5.8 1.0 OG1 B:THR318 4.6 10.5 1.0 N B:TYR317 4.6 8.3 1.0 C4' B:FCG2400 4.7 3.5 1.0 CD1 B:TYR317 4.7 8.3 1.0 OG B:SER43 4.7 10.0 1.0 C2' B:FCG2400 4.7 4.4 1.0 C B:MET316 4.8 6.1 1.0 CG B:TYR317 4.8 6.5 1.0 C B:GLY344 4.8 12.0 1.0 CB B:SER43 4.9 7.0 1.0 N B:HIS345 4.9 7.6 1.0 O B:TYR317 5.0 9.1 1.0

Z.-W.Chen, G.Zhao, S.Martinovic, M.S.Jorns, F.S.Mathews. Structure of the Sodium Borohydride-Reduced N-(Cyclopropyl)Glycine Adduct of the Flavoenzyme Monomeric Sarcosine Oxidase. Biochemistry V. 44 15444 2005.
ISSN: ISSN 0006-2960
PubMed: 16300392
DOI: 10.1021/BI0515422