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Chlorine in PDB 3bhf: Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant

Enzymatic activity of Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant

All present enzymatic activity of Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant:
1.5.3.1;

Protein crystallography data

The structure of Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant, PDB code: 3bhf was solved by A.Hassan-Abdallah, G.Zhao, Z.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) 39.52 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.348, 70.456, 79.595, 90.00, 96.77, 90.00
R / Rfree (%) 20.2 / 25.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant (pdb code 3bhf). 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 of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant, PDB code: 3bhf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3bhf

Go back to Chlorine Binding Sites List in 3bhf
Chlorine binding site 1 out of 2 in the Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:38.8
occ:1.00
N A:GLY344 3.1 26.1 1.0
O3' A:FAD400 3.2 22.1 1.0
O A:HOH556 3.2 38.8 1.0
N A:THR318 3.4 30.6 1.0
C3' A:FAD400 3.5 20.4 1.0
N A:SER343 3.6 23.8 1.0
CA A:TYR317 3.6 29.5 1.0
C A:PHE342 3.7 23.9 1.0
CA A:GLY344 3.9 22.4 1.0
C A:TYR317 4.0 31.1 1.0
O A:MET316 4.0 28.2 1.0
C A:SER343 4.0 25.6 1.0
CB A:PHE342 4.0 18.1 1.0
O A:PHE342 4.0 24.6 1.0
CA A:SER343 4.1 25.9 1.0
O A:HOH430 4.2 24.2 1.0
CA A:PHE342 4.2 22.7 1.0
C5' A:FAD400 4.2 17.8 1.0
N A:PHE342 4.3 23.7 1.0
C1' A:FAD400 4.4 24.6 1.0
O A:THR318 4.4 30.9 1.0
CB A:TYR317 4.4 28.0 1.0
CA A:THR318 4.4 30.8 1.0
CB A:THR318 4.6 29.3 1.0
C4' A:FAD400 4.6 19.5 1.0
N A:TYR317 4.7 28.2 1.0
C2' A:FAD400 4.7 24.5 1.0
C A:MET316 4.8 29.2 1.0
C A:THR318 4.8 29.7 1.0
C A:GLY344 4.8 21.9 1.0
CD1 A:TYR317 4.8 28.6 1.0
OG A:SER43 4.8 26.1 1.0
OG1 A:THR318 4.9 33.7 1.0
N A:HIS345 4.9 20.7 1.0
CG A:TYR317 5.0 28.8 1.0

Chlorine binding site 2 out of 2 in 3bhf

Go back to Chlorine Binding Sites List in 3bhf
Chlorine binding site 2 out of 2 in the Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of R49K Mutant of Monomeric Sarcosine Oxidase Crystallized in Peg As Precipitant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:49.5
occ:1.00
O B:HOH508 3.0 47.4 1.0
N B:GLY344 3.0 41.7 1.0
N B:THR318 3.3 46.7 1.0
O3' B:FAD400 3.3 40.0 1.0
C B:PHE342 3.7 41.4 1.0
C3' B:FAD400 3.7 41.2 1.0
N B:SER343 3.7 41.8 1.0
CA B:TYR317 3.8 47.7 1.0
CA B:GLY344 3.8 38.5 1.0
CB B:PHE342 4.0 37.6 1.0
O B:PHE342 4.0 42.5 1.0
C B:TYR317 4.0 47.4 1.0
C B:SER343 4.0 42.7 1.0
CA B:SER343 4.1 43.0 1.0
CA B:PHE342 4.1 40.8 1.0
O B:MET316 4.2 44.4 1.0
C5' B:FAD400 4.2 42.4 1.0
N B:PHE342 4.3 40.5 1.0
CA B:THR318 4.3 45.1 1.0
O B:THR318 4.3 44.9 1.0
CB B:THR318 4.4 45.7 1.0
C B:THR318 4.6 45.0 1.0
CB B:TYR317 4.6 49.9 1.0
C1' B:FAD400 4.6 42.1 1.0
OG B:SER43 4.7 43.3 1.0
OG1 B:THR318 4.7 46.8 1.0
C4' B:FAD400 4.7 42.8 1.0
N B:TYR317 4.8 46.0 1.0
C B:GLY344 4.9 37.3 1.0
C2' B:FAD400 4.9 40.5 1.0
CB B:SER43 4.9 40.2 1.0
C B:MET316 4.9 44.5 1.0
N B:HIS345 5.0 35.0 1.0

Reference:

A.Hassan-Abdallah, G.Zhao, Z.W.Chen, F.S.Mathews, M.Schuman Jorns. Arginine 49 Is A Bifunctional Residue Important in Catalysis and Biosynthesis of Monomeric Sarcosine Oxidase: A Context-Sensitive Model For the Electrostatic Impact of Arginine to Lysine Mutations. Biochemistry V. 47 2913 2008.
ISSN: ISSN 0006-2960
PubMed: 18251505
DOI: 10.1021/BI702351V
Page generated: Sat Dec 12 09:33:19 2020

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