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Chlorine in PDB 9f1q: Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida

Protein crystallography data

The structure of Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida, PDB code: 9f1q was solved by C.Lorena, P.T.Borges, C.Frazao, L.O.Martins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.16 / 2.35
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 144.949, 144.949, 177.158, 90, 90, 120
R / Rfree (%) 21.9 / 24.6

Other elements in 9f1q:

The structure of Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida (pdb code 9f1q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida, PDB code: 9f1q:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9f1q

Go back to Chlorine Binding Sites List in 9f1q
Chlorine binding site 1 out of 4 in the Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida


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 A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:86.4
occ:1.00
O B:LEU183 3.8 60.7 1.0
O B:HOH409 4.0 59.4 1.0
NH2 B:ARG122 4.0 56.8 1.0
NH1 B:ARG125 4.3 54.6 1.0
NH2 B:ARG125 4.4 58.9 1.0
CZ B:ARG125 4.5 54.3 1.0
O B:SER184 4.5 63.1 1.0
C B:LEU183 4.8 55.9 1.0
CG B:LEU183 4.9 50.0 1.0
CA B:SER184 4.9 60.7 1.0
NH1 B:ARG122 4.9 51.9 1.0
CD1 B:LEU183 4.9 44.3 1.0
CZ B:ARG122 5.0 51.4 1.0

Chlorine binding site 2 out of 4 in 9f1q

Go back to Chlorine Binding Sites List in 9f1q
Chlorine binding site 2 out of 4 in the Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida


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 A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:62.5
occ:1.00
O C:HOH472 2.4 50.9 1.0
O B:HOH475 2.8 47.1 1.0
O B:HOH436 3.1 38.8 1.0
NE B:ARG92 3.1 44.7 1.0
NE C:ARG92 3.5 46.4 1.0
CD2 C:HIS15 3.5 52.3 1.0
NE2 C:HIS15 3.8 58.1 1.0
CD B:ARG92 3.8 49.8 1.0
CD C:ARG92 3.8 53.2 1.0
CB B:ARG92 3.9 45.0 1.0
O C:HOH441 3.9 53.1 1.0
O C:HOH460 4.0 47.0 1.0
CZ B:ARG92 4.0 44.7 1.0
NH2 B:ARG92 4.1 46.7 1.0
CD2 B:HIS15 4.2 47.5 1.0
CB C:PHE119 4.3 38.7 1.0
CB C:ARG92 4.3 52.0 1.0
NE2 B:HIS15 4.4 57.1 1.0
CG B:ARG92 4.5 40.8 1.0
CZ C:ARG92 4.6 52.0 1.0
CG C:PHE119 4.7 42.2 1.0
O C:HOH458 4.7 47.9 1.0
CG C:ARG92 4.7 51.1 1.0
CD1 C:PHE119 4.8 35.8 1.0
CG C:HIS15 4.8 50.6 1.0
NH2 C:ARG92 4.8 49.9 1.0

Chlorine binding site 3 out of 4 in 9f1q

Go back to Chlorine Binding Sites List in 9f1q
Chlorine binding site 3 out of 4 in the Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:82.0
occ:1.00
O C:LEU112 3.7 50.5 1.0
O C:ALA113 4.4 55.5 1.0
C C:ALA113 4.6 45.8 1.0
C C:LEU112 4.6 49.9 1.0
CA C:ALA113 4.9 45.9 1.0

Chlorine binding site 4 out of 4 in 9f1q

Go back to Chlorine Binding Sites List in 9f1q
Chlorine binding site 4 out of 4 in the Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Dyp-Type Peroxidase Fireprot Variant From Pseudomonas Putida within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:75.7
occ:1.00
CZ3 D:TRP84 3.2 66.1 1.0
SG D:CYS271 3.2 71.2 1.0
O D:LEU47 3.3 49.7 1.0
CB D:LEU46 3.3 53.2 1.0
N D:LEU47 3.6 58.9 1.0
C D:LEU47 3.6 42.8 1.0
CD2 D:LEU46 3.8 61.8 1.0
CE3 D:TRP84 3.8 58.6 1.0
CH2 D:TRP84 3.9 65.7 1.0
C D:LEU46 4.0 57.3 1.0
CB D:CYS271 4.1 60.4 1.0
CG D:LEU46 4.1 60.8 1.0
N D:GLY48 4.2 42.9 1.0
CA D:LEU47 4.2 47.1 1.0
CA D:LEU46 4.2 58.9 1.0
CE1 D:PHE232 4.4 59.1 1.0
NE2 D:GLN5 4.5 61.7 1.0
OE1 D:GLN5 4.5 70.0 1.0
CA D:GLY48 4.6 43.9 1.0
O D:LEU46 4.7 55.1 1.0
CD D:GLN5 4.7 64.3 1.0
CA D:CYS271 4.8 49.3 1.0
CZ D:PHE232 4.9 65.5 1.0
CD2 D:TRP84 4.9 54.4 1.0
CZ2 D:TRP84 5.0 59.4 1.0

Reference:

D.Silva, C.F.Rodrigues, C.Lorena, C.Frazao, P.T.Borges, L.O.Martins. One-Step Computational Design of Hyperthermostable Bacterial Dyp-Type Peroxidases To Be Published.
Page generated: Sun Jul 13 16:38:16 2025

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