Chlorine in PDB 7znm: Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution

Enzymatic activity of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution

All present enzymatic activity of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution:
1.11.2.1;

Protein crystallography data

The structure of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution, PDB code: 7znm was solved by W.X.Q.Robinson, T.Mielke, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.82 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.34, 75.822, 151.696, 90, 90, 90
R / Rfree (%) 18.3 / 21.9

Other elements in 7znm:

The structure of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Iron (Fe) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution (pdb code 7znm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution, PDB code: 7znm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 7znm

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Chlorine binding site 1 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:35.5
occ:1.00
 O A:HOH543 2.6 39.1 1.0
CG A:GLN135 3.4 34.8 1.0
N A:ASN122 3.4 25.8 1.0
CB A:GLN135 3.6 31.3 1.0
CB A:SER121 4.0 26.7 1.0
CA A:SER121 4.0 25.6 1.0
CD A:PRO123 4.1 30.2 1.0
C A:SER121 4.2 24.7 1.0
CA A:SER132 4.3 24.4 1.0
CA A:ASN122 4.3 26.8 1.0
CB A:SER132 4.3 23.6 1.0
O A:HOH521 4.4 42.2 1.0
O A:SER132 4.5 22.1 1.0
CD A:GLN135 4.7 42.2 1.0
C A:SER132 4.9 23.0 1.0
O A:HOH477 5.0 37.9 1.0

Chlorine binding site 2 out of 11 in 7znm

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Chlorine binding site 2 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:38.0
occ:1.00
 O A:HOH426 3.5 29.9 1.0
NE2 A:HIS88 3.7 31.4 1.0
O A:HOH410 3.8 27.1 1.0
CD2 A:PHE102 3.9 33.4 1.0
CB A:ASN150 3.9 36.8 1.0
CD2 A:HIS88 3.9 30.7 1.0
CB A:ALA103 4.0 32.1 1.0
ND2 A:ASN150 4.1 43.3 1.0
O A:ASN150 4.4 29.6 1.0
CG A:ASN150 4.5 38.6 1.0
CE2 A:PHE102 4.5 35.4 1.0
N A:ALA103 4.6 30.6 1.0
CA A:ALA103 4.6 34.3 1.0
CE1 A:HIS88 4.7 29.2 1.0
CG A:PHE102 4.9 30.2 1.0
CB A:PHE102 4.9 30.0 1.0
O5 A:NAG305 4.9 46.5 1.0
CG A:HIS88 4.9 28.9 1.0

Chlorine binding site 3 out of 11 in 7znm

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Chlorine binding site 3 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:48.5
occ:1.00
 O A:HOH549 3.1 43.0 1.0
CE1 A:PHE102 3.4 36.8 1.0
N A:HIS88 3.4 24.4 1.0
O A:LYS86 3.6 25.3 1.0
CD1 A:PHE102 3.8 34.1 1.0
CA A:LEU87 3.9 23.7 1.0
CB A:HIS88 4.0 27.4 1.0
CZ A:PHE102 4.1 36.4 1.0
C A:LEU87 4.1 24.5 1.0
ND2 A:ASN107 4.2 30.1 1.0
CD1 A:LEU87 4.2 24.0 1.0
C A:LYS86 4.3 25.2 1.0
CA A:HIS88 4.3 27.6 1.0
CG A:LYS86 4.4 32.2 1.0
N A:LEU87 4.5 23.9 1.0
CG A:PHE102 4.8 30.2 1.0
CE2 A:PHE102 5.0 35.4 1.0

Chlorine binding site 4 out of 11 in 7znm

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Chlorine binding site 4 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:29.1
occ:1.00
 N A:LEU237 3.5 28.7 1.0
NE1 A:TRP234 3.5 30.7 1.0
CA A:VAL236 4.0 28.8 1.0
CB A:LEU237 4.1 32.4 1.0
C A:VAL236 4.3 32.0 1.0
CA A:LEU237 4.4 32.6 1.0
CD1 A:TRP234 4.4 29.3 1.0
CG1 A:VAL236 4.4 30.1 1.0
CE2 A:TRP234 4.5 29.6 1.0
CG A:LEU237 4.5 33.2 1.0
CB A:VAL236 4.7 29.7 1.0
CZ2 A:TRP234 4.7 31.4 1.0
N A:SER238 4.8 34.0 1.0
O A:ILE235 4.8 29.2 1.0
CG2 A:VAL236 4.9 32.0 1.0

Chlorine binding site 5 out of 11 in 7znm

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Chlorine binding site 5 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:58.8
occ:1.00
 N A:ARG38 3.2 28.2 1.0
CA A:PRO37 3.7 32.8 1.0
C A:PRO37 4.0 32.0 1.0
CB A:ARG38 4.0 32.6 1.0
CG A:ARG38 4.0 33.3 1.0
CA A:ARG38 4.2 30.6 1.0
CB A:PRO37 4.4 35.6 1.0
CD A:ARG38 4.5 32.5 1.0
O A:LEU36 4.7 31.3 1.0
N A:PRO37 4.9 34.9 1.0
N A:ASN39 4.9 29.7 1.0

Chlorine binding site 6 out of 11 in 7znm

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Chlorine binding site 6 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:24.2
occ:1.00
 O B:HOH526 2.7 38.9 1.0
CB B:SER223 3.5 58.0 1.0
CE1 B:PHE158 3.5 40.7 1.0
NH1 B:ARG161 3.8 23.8 1.0
O B:LEU137 3.8 23.0 1.0
C B:LEU137 3.8 28.1 1.0
CD1 B:TRP225 3.8 35.6 1.0
N B:LYS138 3.9 26.4 1.0
O B:SER223 3.9 59.4 1.0
CB B:LEU137 3.9 34.0 1.0
CD1 B:PHE158 4.0 39.2 1.0
CB B:TRP225 4.1 36.6 1.0
CA B:LYS138 4.1 28.5 1.0
CD2 B:LEU141 4.1 27.1 1.0
OG B:SER223 4.1 55.0 1.0
CG B:TRP225 4.3 34.9 1.0
NH2 B:ARG161 4.4 23.2 1.0
CA B:SER223 4.4 63.0 1.0
C B:SER223 4.4 61.7 1.0
CB B:LEU141 4.5 25.1 1.0
CA B:LEU137 4.5 28.9 1.0
CZ B:PHE158 4.5 38.9 1.0
CZ B:ARG161 4.5 24.0 1.0
CG B:LEU137 4.6 39.8 1.0
CA B:TRP225 4.7 39.3 1.0
CB B:LYS138 4.9 30.2 1.0
NE1 B:TRP225 4.9 31.8 1.0
CG B:LEU141 5.0 25.2 1.0
O B:HOH427 5.0 36.4 1.0
CD2 B:LEU137 5.0 44.2 1.0

Chlorine binding site 7 out of 11 in 7znm

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Chlorine binding site 7 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:44.8
occ:1.00
 O B:HOH546 2.8 47.5 1.0
O B:HOH560 3.3 44.9 1.0
CE1 B:PHE102 3.5 36.5 1.0
N B:HIS88 3.6 22.7 1.0
O B:LYS86 3.7 25.0 1.0
CA B:LEU87 3.9 24.5 1.0
CD1 B:PHE102 4.1 34.8 1.0
CZ B:PHE102 4.2 38.3 1.0
CD1 B:LEU87 4.2 27.8 1.0
CB B:HIS88 4.2 27.0 1.0
C B:LEU87 4.3 23.6 1.0
CG B:LYS86 4.3 28.3 1.0
C B:LYS86 4.3 25.3 1.0
ND2 B:ASN107 4.3 26.2 1.0
N B:LEU87 4.5 24.7 1.0
CA B:HIS88 4.5 24.2 1.0
CD B:LYS86 5.0 28.9 1.0
CE B:LYS86 5.0 31.8 1.0

Chlorine binding site 8 out of 11 in 7znm

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Chlorine binding site 8 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:46.6
occ:1.00
 CG2 B:ILE196 4.0 29.4 1.0
CA B:GLU197 4.2 30.2 1.0
CG B:GLU197 4.4 33.9 1.0
N B:GLU197 4.5 27.4 1.0
O B:ILE196 4.5 27.4 1.0
C B:ILE196 4.6 26.3 1.0
CB B:GLU197 4.8 31.6 1.0

Chlorine binding site 9 out of 11 in 7znm

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Chlorine binding site 9 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:28.5
occ:1.00
 NE1 B:TRP234 3.4 28.9 1.0
N B:LEU237 3.4 30.4 1.0
CB B:LEU237 4.0 34.3 1.0
CA B:VAL236 4.1 28.1 1.0
C B:VAL236 4.3 30.7 1.0
CA B:LEU237 4.3 35.3 1.0
CE2 B:TRP234 4.4 31.1 1.0
CD1 B:TRP234 4.4 29.0 1.0
CG B:LEU237 4.4 37.8 1.0
CG1 B:VAL236 4.6 28.2 1.0
CZ2 B:TRP234 4.6 30.6 1.0
O B:ILE235 4.8 29.3 1.0
CB B:VAL236 4.8 29.6 1.0
N B:SER238 4.8 42.3 1.0
CD1 B:LEU237 5.0 38.3 1.0

Chlorine binding site 10 out of 11 in 7znm

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Chlorine binding site 10 out of 11 in the Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Artificial Unspecific Peroxygenase Expressed in Pichia Pastoris at 2.01 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:18.7
occ:1.00
 O B:HOH553 2.4 39.4 1.0
N B:ASN122 3.5 25.6 1.0
O B:HOH439 3.6 39.7 1.0
CG B:GLN135 3.7 37.9 1.0
CB B:GLN135 3.8 33.2 1.0
CB B:SER121 3.9 28.2 1.0
CA B:SER121 4.0 25.6 1.0
CD B:PRO123 4.1 34.1 1.0
C B:SER121 4.2 26.3 1.0
CA B:SER132 4.3 27.0 1.0
CB B:SER132 4.3 26.4 1.0
CA B:ASN122 4.3 26.9 1.0
O B:HOH515 4.4 52.6 1.0
O B:SER132 4.5 25.2 1.0
C B:SER132 4.9 25.2 1.0
O B:HOH488 5.0 29.9 1.0

Reference:

W.X.Q.Robinson, T.Mielke, B.Melling, A.Cuetos, A.Parkin, W.P.Unsworth, J.Cartwright, G.Grogan. Comparing the Catalytic and Structural Characteristics of A 'Short' Unspecific Peroxygenase (Upo) Expressed in Pichia Pastoris and Escherichia Coli. Chembiochem V. 24 00558 2023.
ISSN: ESSN 1439-7633
PubMed: 36374006
DOI: 10.1002/CBIC.202200558
Page generated: Tue Jul 30 06:16:21 2024

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