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Chlorine in PDB 7exs: Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R

Enzymatic activity of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R

All present enzymatic activity of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R:
1.5.3.1;

Protein crystallography data

The structure of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R, PDB code: 7exs was solved by Y.Xin, C.Shen, M.W.Tang, Y.Shi, Z.T.Guo, Z.H.Gu, J.Shao, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.18 / 1.42
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 130.362, 47.141, 64.763, 90, 90, 90
R / Rfree (%) 19 / 21.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R (pdb code 7exs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R, PDB code: 7exs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 7exs

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Chlorine binding site 1 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:14.8
occ:1.00
 O A:HOH557 3.0 13.7 1.0
O3' A:FAD401 3.1 13.8 1.0
N A:GLY341 3.2 13.4 1.0
N A:THR315 3.4 12.7 1.0
N A:SER340 3.5 14.2 1.0
C3' A:FAD401 3.5 12.3 1.0
CA A:TYR314 3.7 13.0 1.0
C A:PHE339 3.8 13.3 1.0
CA A:GLY341 3.8 14.9 1.0
CB A:PHE339 3.9 11.9 1.0
C1' A:FAD401 4.1 13.2 1.0
C A:TYR314 4.1 13.5 1.0
CA A:PHE339 4.1 12.5 1.0
C A:SER340 4.2 14.5 1.0
CB A:TYR314 4.2 14.4 1.0
CA A:SER340 4.3 14.8 1.0
O A:PHE339 4.3 13.4 1.0
O A:LEU313 4.4 14.5 1.0
O A:THR315 4.4 14.4 1.0
N A:PHE339 4.4 13.4 1.0
OG A:SER45 4.4 14.7 1.0
O A:HOH515 4.4 15.1 1.0
C2' A:FAD401 4.5 12.9 1.0
CD1 A:TYR314 4.5 13.2 1.0
CA A:THR315 4.5 14.0 1.0
C5' A:FAD401 4.5 12.6 1.0
C4' A:FAD401 4.6 12.8 1.0
C A:GLY341 4.6 14.2 1.0
CB A:SER45 4.7 14.4 1.0
CG A:TYR314 4.7 11.8 1.0
CB A:THR315 4.7 15.4 1.0
N A:HIS342 4.8 12.3 1.0
C A:THR315 4.8 14.5 1.0
N A:TYR314 4.9 13.2 1.0
OG1 A:THR315 4.9 15.7 1.0

Chlorine binding site 2 out of 7 in 7exs

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Chlorine binding site 2 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:47.3
occ:1.00
 N A:VAL88 2.9 16.7 1.0
CB A:VAL88 3.7 17.1 1.0
CA A:ARG87 3.8 15.5 1.0
C A:ARG87 3.8 15.8 1.0
CA A:VAL88 3.9 16.2 1.0
CG2 A:VAL88 3.9 18.2 1.0
O A:LEU86 4.0 21.3 1.0
O A:VAL88 4.3 21.3 1.0
NH2 A:ARG84 4.3 50.7 1.0
C A:VAL88 4.6 17.6 1.0
N A:ARG87 4.6 15.5 1.0
CG A:ARG87 4.6 20.1 1.0
C A:LEU86 4.6 18.8 1.0
CB A:ARG87 4.8 18.3 1.0
O A:ARG87 5.0 15.0 1.0

Chlorine binding site 3 out of 7 in 7exs

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Chlorine binding site 3 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:53.7
occ:1.00
 NH2 A:ARG234 3.4 26.1 1.0
O A:HOH532 3.5 29.4 1.0
O A:HOH710 3.7 35.3 1.0
NE A:ARG234 4.0 21.2 1.0
CB A:ASP231 4.2 22.7 1.0
CZ A:ARG234 4.2 24.2 1.0
CA A:GLY301 4.6 17.4 1.0
N A:ASP231 4.6 26.2 1.0
O A:GLY301 4.7 19.2 1.0
CB A:ASP230 4.9 30.9 1.0

Chlorine binding site 4 out of 7 in 7exs

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Chlorine binding site 4 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:45.4
occ:1.00
 NH1 A:ARG194 3.8 29.8 1.0
N A:ARG194 3.9 20.3 1.0
CB A:ARG194 4.2 20.0 1.0
CD A:ARG194 4.4 26.7 1.0
CG A:ARG194 4.4 21.1 1.0
CA A:LEU193 4.6 20.4 1.0
CA A:ARG194 4.6 19.6 1.0
C A:LEU193 4.7 19.3 1.0
O A:ARG194 4.8 20.3 1.0
CZ A:ARG194 4.9 30.2 1.0

Chlorine binding site 5 out of 7 in 7exs

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Chlorine binding site 5 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:57.5
occ:1.00
 O A:HIS327 3.0 20.2 1.0
CB A:ARG326 3.8 23.2 1.0
CA A:PRO331 3.9 23.6 1.0
CB A:PRO331 3.9 26.7 1.0
CD A:ARG326 4.1 40.9 1.0
C A:HIS327 4.1 20.2 1.0
O A:PRO328 4.2 27.5 1.0
N A:PRO331 4.2 24.1 1.0
NH1 A:ARG326 4.3 47.5 1.0
C A:PRO328 4.3 26.3 1.0
NE A:ARG326 4.4 46.7 1.0
CA A:PRO328 4.5 25.1 1.0
CZ A:ARG326 4.5 49.1 1.0
C A:TRP330 4.6 23.3 1.0
O A:HOH642 4.6 33.0 1.0
CG A:ARG326 4.6 29.6 1.0
CD A:PRO331 4.8 24.5 1.0
O A:TRP330 4.8 21.9 1.0
C A:ARG326 4.8 18.7 1.0
N A:PRO328 4.9 23.5 1.0
N A:HIS327 4.9 18.1 1.0
CG A:PRO331 4.9 26.6 1.0
N A:TRP330 4.9 21.0 1.0
N A:GLU329 4.9 25.6 1.0
C A:GLU329 5.0 24.1 1.0

Chlorine binding site 6 out of 7 in 7exs

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Chlorine binding site 6 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:54.2
occ:1.00
 N A:THR309 3.1 17.9 1.0
CA A:MET308 3.5 19.1 1.0
O A:THR309 3.5 21.3 1.0
CG A:MET308 3.5 30.1 1.0
C A:MET308 3.8 18.0 1.0
OG1 A:THR309 3.8 24.9 1.0
CB A:MET308 4.0 20.8 1.0
CA A:THR309 4.1 17.5 1.0
C A:THR309 4.3 19.2 1.0
CB A:THR309 4.5 21.8 1.0
O A:LEU307 4.7 21.2 1.0
N A:MET308 4.7 17.6 1.0
O A:MET308 5.0 17.6 1.0

Chlorine binding site 7 out of 7 in 7exs

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Chlorine binding site 7 out of 7 in the Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:57.5
occ:1.00
 O A:THR89 4.1 17.5 1.0
CG1 A:VAL141 4.1 16.2 1.0
CG A:PRO241 4.3 17.2 1.0
CA A:GLY90 4.3 14.8 1.0
O A:HOH545 4.3 30.8 1.0
O A:HOH564 4.6 27.4 1.0
CZ A:PHE128 4.7 22.4 1.0
O A:GLU142 4.7 17.0 1.0
CE1 A:PHE128 4.8 23.6 1.0
C A:THR89 4.9 15.7 1.0
CB A:PRO241 5.0 17.6 1.0
C A:GLY90 5.0 15.9 1.0

Reference:

Y.Xin, C.Shen, M.W.Tang, Y.Shi, Z.T.Guo, Z.H.Gu, J.Shao, L.Zhang. Thermomicrobium Roseum Sarcosine Oxidase Mutant - S320R To Be Published.
Page generated: Mon Jul 29 20:38:23 2024

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