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

Enzymatic activity of 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;

Protein crystallography data

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

Chlorine Binding Sites:

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 3qse

Go back to Chlorine Binding Sites List in 3qse
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 3qse

Go back to Chlorine Binding Sites List in 3qse
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

Reference:

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
Page generated: Fri Jul 11 09:32:28 2025

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