Chlorine in PDB 9h8p: Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt

Enzymatic activity of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt

All present enzymatic activity of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt:
1.1.3.38;

Protein crystallography data

The structure of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt, PDB code: 9h8p was solved by H.J.Rozeboom, M.W.Fraaije, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 102.72 / 1.47
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.348, 110.228, 117.259, 89.75, 89.5, 68.43
R / Rfree (%) 14.9 / 16.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt (pdb code 9h8p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt, PDB code: 9h8p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 9h8p

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Chlorine binding site 1 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:26.1
occ:1.00
 N A:GLU189 3.1 13.1 1.0
N A:GLN187 3.2 12.1 1.0
CB A:GLU189 3.2 23.5 1.0
CG A:GLU189 3.3 35.9 1.0
N A:GLY188 3.4 12.2 1.0
CB A:LEU185 3.5 11.9 1.0
O A:HOH3329 3.5 21.7 1.0
CB A:GLN187 3.6 14.6 1.0
C A:GLN187 3.6 14.1 1.0
CA A:GLN187 3.6 13.3 1.0
CA A:GLU189 3.8 16.1 1.0
C A:LEU185 3.9 9.6 1.0
O A:LEU185 4.0 10.2 1.0
N A:PRO186 4.1 10.2 1.0
C A:GLY188 4.2 12.7 1.0
CA A:LEU185 4.2 9.8 1.0
NZ B:LYS498 4.3 38.8 1.0
CA A:GLY188 4.4 12.8 1.0
O A:GLN187 4.4 15.2 1.0
O A:GLU189 4.4 17.7 1.0
C A:PRO186 4.4 11.4 1.0
O B:HOH792 4.4 31.7 1.0
CG A:GLN187 4.5 15.9 1.0
C A:GLU189 4.6 15.7 1.0
CD1 A:LEU185 4.6 14.6 1.0
CD A:GLU189 4.6 51.7 1.0
CG A:LEU185 4.7 13.0 1.0
N A:LEU185 4.8 10.1 1.0
CD A:PRO186 4.8 11.3 1.0
CA A:PRO186 4.8 10.8 1.0
OE2 A:GLU189 4.9 57.4 1.0
OE1 A:GLN187 5.0 22.9 1.0

Chlorine binding site 2 out of 9 in 9h8p

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Chlorine binding site 2 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl604

b:20.0
occ:1.00
 N B:GLN187 3.2 12.0 1.0
O A:HOH3243 3.2 19.5 1.0
N B:GLU189 3.3 13.4 1.0
CB B:LEU185 3.5 11.8 1.0
CB B:GLN187 3.5 14.7 1.0
N B:GLY188 3.5 12.2 1.0
CA B:GLN187 3.5 13.8 1.0
CB B:GLU189 3.6 16.7 1.0
C B:GLN187 3.6 13.0 1.0
CG B:GLU189 3.8 23.0 1.0
C B:LEU185 3.8 11.2 1.0
O B:LEU185 4.0 11.5 1.0
CA B:GLU189 4.0 14.2 1.0
N B:PRO186 4.1 11.5 1.0
CA B:LEU185 4.2 10.6 1.0
O A:HOH3622 4.3 36.5 1.0
C B:PRO186 4.4 12.4 1.0
O B:GLN187 4.4 14.4 1.0
C B:GLY188 4.4 12.9 1.0
CG B:GLN187 4.4 17.6 1.0
O B:GLU189 4.5 17.1 1.0
CA B:GLY188 4.5 12.8 1.0
CD B:PRO186 4.7 12.6 1.0
C B:GLU189 4.7 13.2 1.0
CG B:LEU185 4.7 13.8 1.0
CD1 B:LEU185 4.8 16.1 1.0
CA B:PRO186 4.8 11.6 1.0
N B:LEU185 4.8 10.6 1.0
OE1 B:GLN187 4.9 21.9 1.0

Chlorine binding site 3 out of 9 in 9h8p

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Chlorine binding site 3 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:27.3
occ:1.00
 N C:GLU189 3.2 16.3 1.0
N C:GLN187 3.2 15.6 1.0
O C:HOH896 3.3 25.4 1.0
CB C:GLU189 3.4 24.3 1.0
CB C:GLN187 3.4 19.9 1.0
N C:GLY188 3.5 15.4 1.0
CB C:LEU185 3.5 13.3 1.0
CA C:GLN187 3.5 17.0 1.0
CG C:GLU189 3.5 34.4 1.0
C C:GLN187 3.6 17.2 1.0
C C:LEU185 3.9 12.5 1.0
CA C:GLU189 3.9 17.5 1.0
O C:LEU185 4.0 12.5 1.0
N C:PRO186 4.1 12.4 1.0
O D:HOH1076 4.1 30.7 1.0
CA C:LEU185 4.2 13.0 1.0
C C:GLY188 4.3 16.1 1.0
O C:GLN187 4.3 19.1 1.0
C C:PRO186 4.4 14.9 1.0
CA C:GLY188 4.4 15.8 1.0
CG C:GLN187 4.4 20.2 1.0
O C:GLU189 4.4 19.1 1.0
C C:GLU189 4.6 16.2 1.0
CD1 C:LEU185 4.7 16.4 1.0
CG C:LEU185 4.7 15.2 1.0
CD C:PRO186 4.8 12.9 1.0
N C:LEU185 4.8 12.4 1.0
CA C:PRO186 4.8 12.3 1.0
CD C:GLU189 4.9 43.1 1.0
OE1 C:GLN187 5.0 26.8 1.0

Chlorine binding site 4 out of 9 in 9h8p

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Chlorine binding site 4 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:23.9
occ:1.00
 N D:GLN187 3.2 12.7 1.0
N D:GLU189 3.2 12.8 1.0
CB D:GLU189 3.3 20.2 1.0
O D:HOH767 3.4 21.2 1.0
N D:GLY188 3.5 12.8 1.0
CB D:LEU185 3.5 11.9 1.0
CB D:GLN187 3.5 15.6 1.0
CA D:GLN187 3.5 13.3 1.0
CG D:GLU189 3.5 25.4 1.0
C D:GLN187 3.6 13.5 1.0
C D:LEU185 3.8 11.2 1.0
CA D:GLU189 3.9 15.6 1.0
O D:LEU185 4.0 10.5 1.0
N D:PRO186 4.1 11.6 1.0
CA D:LEU185 4.2 10.8 1.0
C D:GLY188 4.2 12.6 1.0
O D:GLN187 4.3 14.8 1.0
C D:PRO186 4.4 12.2 1.0
CA D:GLY188 4.4 12.8 1.0
O C:HOH1031 4.4 27.4 1.0
NZ C:LYS498 4.5 44.8 1.0
O D:GLU189 4.5 18.7 1.0
CG D:GLN187 4.5 17.9 1.0
C D:GLU189 4.6 14.4 1.0
CG D:LEU185 4.7 13.1 1.0
CD D:PRO186 4.7 12.1 1.0
CD1 D:LEU185 4.7 14.8 1.0
N D:LEU185 4.8 10.6 1.0
CA D:PRO186 4.8 11.4 1.0
CD D:GLU189 4.9 36.6 1.0
OE1 D:GLN187 5.0 25.1 1.0

Chlorine binding site 5 out of 9 in 9h8p

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Chlorine binding site 5 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl603

b:19.0
occ:1.00
 O2' D:FAD601 2.9 14.1 1.0
N D:LEU152 3.1 13.1 1.0
C4X D:FAD601 3.3 10.5 1.0
C10 D:FAD601 3.3 11.0 1.0
N10 D:FAD601 3.4 10.8 1.0
N5 D:FAD601 3.4 12.6 1.0
CB D:LEU152 3.4 13.9 1.0
C9A D:FAD601 3.5 10.7 1.0
C5X D:FAD601 3.5 12.1 1.0
CB D:PRO150 3.5 11.1 1.0
C3' D:FAD601 3.6 11.1 1.0
N D:ASP151 3.6 12.1 1.0
O D:LEU152 3.7 17.4 1.0
CA D:LEU152 3.7 13.3 1.0
CG D:PRO150 3.7 11.9 1.0
O D:HOH718 3.7 18.4 1.0
C2' D:FAD601 3.8 11.1 1.0
CG D:LEU152 3.8 13.5 1.0
C4 D:FAD601 3.9 11.8 1.0
N1 D:FAD601 3.9 10.3 1.0
C D:ASP151 4.1 12.7 1.0
C1' D:FAD601 4.1 11.4 1.0
C D:PRO150 4.1 12.0 1.0
CD1 D:LEU152 4.2 14.4 1.0
C D:LEU152 4.2 14.2 1.0
CA D:ASP151 4.2 12.5 1.0
C9 D:FAD601 4.3 11.7 1.0
CB D:ASP151 4.3 15.2 1.0
CA D:PRO150 4.4 11.0 1.0
C6 D:FAD601 4.4 13.0 1.0
C4' D:FAD601 4.4 10.7 1.0
N3 D:FAD601 4.5 10.5 1.0
O4 D:FAD601 4.5 12.1 1.0
C2 D:FAD601 4.5 10.5 1.0
O4' D:FAD601 4.5 11.4 1.0
O3' D:FAD601 4.6 10.5 1.0
O D:PRO150 4.9 11.9 1.0
O D:HOH936 4.9 15.1 1.0

Chlorine binding site 6 out of 9 in 9h8p

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Chlorine binding site 6 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl604

b:24.5
occ:1.00
 CG E:GLU189 3.0 38.1 1.0
N E:GLN187 3.2 12.3 1.0
N E:GLU189 3.2 14.4 1.0
CB E:GLU189 3.2 24.3 1.0
O E:HOH858 3.4 21.1 1.0
N E:GLY188 3.4 12.9 1.0
CB E:LEU185 3.5 11.5 1.0
CA E:GLN187 3.5 13.6 1.0
CB E:GLN187 3.5 14.8 1.0
C E:GLN187 3.5 14.4 1.0
C E:LEU185 3.8 10.4 1.0
CA E:GLU189 3.8 17.6 1.0
O E:LEU185 3.9 10.1 1.0
N E:PRO186 4.0 10.3 1.0
CA E:LEU185 4.2 10.2 1.0
C E:GLY188 4.2 14.4 1.0
NZ F:LYS498 4.3 36.4 1.0
CD E:GLU189 4.3 52.5 1.0
O E:GLN187 4.3 17.9 1.0
C E:PRO186 4.3 11.8 1.0
CA E:GLY188 4.4 13.3 1.0
O F:HOH944 4.5 28.4 1.0
O E:GLU189 4.5 19.7 1.0
CG E:GLN187 4.5 17.1 1.0
OE2 E:GLU189 4.6 71.8 1.0
C E:GLU189 4.6 15.8 1.0
CD1 E:LEU185 4.7 13.9 1.0
CD E:PRO186 4.7 11.4 1.0
CG E:LEU185 4.7 12.8 1.0
N E:LEU185 4.7 10.8 1.0
CA E:PRO186 4.8 10.9 1.0

Chlorine binding site 7 out of 9 in 9h8p

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Chlorine binding site 7 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl604

b:19.4
occ:1.00
 N F:GLN187 3.2 12.3 1.0
O F:HOH766 3.3 20.3 1.0
N F:GLU189 3.3 13.3 1.0
N F:GLY188 3.5 11.7 1.0
CB F:GLN187 3.5 13.9 1.0
CB F:LEU185 3.5 12.2 1.0
CB F:GLU189 3.6 18.0 1.0
CA F:GLN187 3.6 13.0 1.0
C F:GLN187 3.6 13.1 1.0
CG F:GLU189 3.8 23.5 1.0
C F:LEU185 3.8 10.5 1.0
O F:LEU185 4.0 10.1 1.0
CA F:GLU189 4.0 14.4 1.0
N F:PRO186 4.0 10.2 1.0
CA F:LEU185 4.2 10.4 1.0
O E:HOH1108 4.3 40.0 1.0
C F:GLY188 4.4 12.7 1.0
C F:PRO186 4.4 11.8 1.0
O F:GLN187 4.4 14.9 1.0
CG F:GLN187 4.5 14.9 1.0
O F:GLU189 4.5 17.6 1.0
CA F:GLY188 4.5 11.5 1.0
CD F:PRO186 4.7 10.4 1.0
C F:GLU189 4.7 13.1 1.0
CD1 F:LEU185 4.8 16.5 1.0
CA F:PRO186 4.8 11.5 1.0
CG F:LEU185 4.8 14.4 1.0
N F:LEU185 4.8 9.8 1.0
OE1 F:GLN187 4.9 21.4 1.0

Chlorine binding site 8 out of 9 in 9h8p

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Chlorine binding site 8 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl602

b:22.0
occ:1.00
 N G:GLN187 3.2 14.3 1.0
O G:HOH852 3.2 23.5 1.0
N G:GLU189 3.3 14.1 1.0
CB G:GLU189 3.4 20.5 1.0
CB G:LEU185 3.5 12.9 1.0
N G:GLY188 3.5 13.0 1.0
CB G:GLN187 3.5 17.5 1.0
CA G:GLN187 3.5 15.8 1.0
C G:GLN187 3.6 14.4 1.0
CG G:GLU189 3.7 26.7 1.0
C G:LEU185 3.8 13.1 1.0
CA G:GLU189 3.9 15.4 1.0
O G:LEU185 4.0 12.4 1.0
N G:PRO186 4.1 12.5 1.0
O H:HOH1047 4.1 35.3 1.0
CA G:LEU185 4.2 12.1 1.0
C G:GLY188 4.3 15.0 1.0
C G:PRO186 4.4 13.6 1.0
O G:GLN187 4.4 17.1 1.0
CG G:GLN187 4.4 19.3 1.0
CA G:GLY188 4.5 13.6 1.0
O G:GLU189 4.5 18.1 1.0
CD1 G:LEU185 4.6 14.1 1.0
C G:GLU189 4.7 14.8 1.0
CD G:PRO186 4.7 12.7 1.0
CG G:LEU185 4.7 13.7 1.0
CA G:PRO186 4.8 13.3 1.0
N G:LEU185 4.8 12.0 1.0
OE1 G:GLN187 4.9 25.8 1.0

Chlorine binding site 9 out of 9 in 9h8p

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Chlorine binding site 9 out of 9 in the Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Eugenol Oxidase (Eugo) From Rhodococcus Jostii RHA1, Mutant Dtt within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl603

b:24.4
occ:1.00
 N H:GLN187 3.2 14.1 1.0
N H:GLU189 3.3 15.9 1.0
O H:HOH797 3.3 21.8 1.0
CB H:GLU189 3.4 23.7 1.0
CB H:LEU185 3.5 15.1 1.0
N H:GLY188 3.5 14.6 1.0
CB H:GLN187 3.5 17.2 1.0
CA H:GLN187 3.6 15.0 1.0
C H:GLN187 3.7 15.8 1.0
CG H:GLU189 3.7 33.1 1.0
C H:LEU185 3.8 13.7 1.0
CA H:GLU189 3.9 18.0 1.0
O H:LEU185 4.0 13.2 1.0
N H:PRO186 4.1 13.0 1.0
O G:HOH895 4.2 35.9 1.0
CA H:LEU185 4.2 13.7 1.0
NZ G:LYS498 4.3 43.0 1.0
C H:GLY188 4.3 17.1 1.0
C H:PRO186 4.4 14.1 1.0
O H:GLN187 4.4 17.5 1.0
O H:GLU189 4.5 20.8 1.0
CG H:GLN187 4.5 18.2 1.0
CA H:GLY188 4.5 15.6 1.0
C H:GLU189 4.6 17.3 1.0
CD1 H:LEU185 4.7 18.2 1.0
CD H:PRO186 4.7 12.8 1.0
CG H:LEU185 4.7 15.5 1.0
N H:LEU185 4.8 12.8 1.0
CA H:PRO186 4.8 13.3 1.0
OE1 H:GLN187 5.0 23.6 1.0

Reference:

B.Ashley, C.Demingo, H.Rozeboom, N.Bianciardi, T.Dunleavy, J.J.Haaksma, Y.Guo, M.W.Fraaije. Biocatalytic Cleavage of Para-Acetoxy Benzyl Ethers: Application to Protecting Group Chemistry Acs Catalysis V. 15 105 2025.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C04257
Page generated: Sun Feb 9 06:48:01 2025

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