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Chlorine in PDB 4qol: Structure of Bacillus Pumilus Catalase

Enzymatic activity of Structure of Bacillus Pumilus Catalase

All present enzymatic activity of Structure of Bacillus Pumilus Catalase:
1.11.1.6;

Protein crystallography data

The structure of Structure of Bacillus Pumilus Catalase, PDB code: 4qol was solved by P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 102.79 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.647, 109.191, 102.829, 90.00, 91.67, 90.00
R / Rfree (%) 17.1 / 19.9

Other elements in 4qol:

The structure of Structure of Bacillus Pumilus Catalase also contains other interesting chemical elements:

Iron (Fe) 8 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Bacillus Pumilus Catalase (pdb code 4qol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of Bacillus Pumilus Catalase, PDB code: 4qol:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4qol

Go back to Chlorine Binding Sites List in 4qol
Chlorine binding site 1 out of 6 in the Structure of Bacillus Pumilus Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Bacillus Pumilus Catalase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:24.7
occ:1.00
 O D:HOH805 3.2 25.8 1.0
NH2 B:ARG48 3.2 13.8 1.0
NH2 A:ARG48 3.4 12.9 1.0
NE A:ARG48 3.5 12.3 1.0
NE B:ARG48 3.5 12.6 1.0
O C:HOH944 3.5 25.1 1.0
CZ B:ARG48 3.9 12.6 1.0
CZ A:ARG48 3.9 12.3 1.0
CA D:HIS346 4.1 14.5 1.0
CA C:HIS346 4.2 14.6 1.0
N C:HIS346 4.2 14.2 1.0
CB C:HIS346 4.2 17.6 1.0
N D:HIS346 4.2 14.7 1.0
CB D:HIS346 4.2 15.8 1.0
C C:ARG345 4.5 13.5 1.0
C D:ARG345 4.5 14.2 1.0
O D:ARG345 4.6 15.2 1.0
O C:ARG345 4.6 14.0 1.0
CD A:ARG48 4.7 12.2 1.0
CD B:ARG48 4.8 12.1 1.0
CB D:ARG345 4.8 12.4 1.0
CB C:ARG345 4.8 12.4 1.0

Chlorine binding site 2 out of 6 in 4qol

Go back to Chlorine Binding Sites List in 4qol
Chlorine binding site 2 out of 6 in the Structure of Bacillus Pumilus Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Bacillus Pumilus Catalase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:18.1
occ:1.00
 O B:HOH639 3.1 14.8 1.0
O C:HOH694 3.2 21.0 1.0
O B:HOH615 3.2 15.6 1.0
N A:ASN367 3.3 14.9 1.0
CB A:ASN366 3.7 15.2 1.0
CE C:LYS42 3.8 13.4 1.0
CB A:ASN367 3.9 15.2 1.0
CA A:ASN367 4.0 14.3 1.0
CD C:LYS42 4.1 12.4 1.0
N A:GLN368 4.1 13.5 1.0
CG C:LYS42 4.2 12.8 1.0
CD1 C:LEU9 4.2 22.2 0.5
C A:ASN367 4.2 14.9 1.0
CD1 C:LEU9 4.3 20.8 0.5
CG A:GLN368 4.3 14.2 1.0
C A:ASN366 4.3 14.9 1.0
CG A:ASN366 4.3 16.3 1.0
CA A:ASN366 4.4 15.0 1.0
CE1 C:HIS38 4.5 19.2 1.0
NZ C:LYS42 4.5 14.0 1.0
OD1 A:ASN366 4.6 15.1 1.0
OD1 A:ASN367 4.6 18.0 1.0
O B:HOH614 4.6 17.1 1.0
CG A:ASN367 4.7 15.5 1.0
CD2 C:LEU9 4.7 19.9 0.5
CD2 C:LEU9 4.8 23.4 0.5
OD1 C:ASN20 4.8 17.0 1.0
CG C:LEU9 4.8 20.2 0.5
NE2 A:GLN368 4.9 16.0 1.0
CG C:LEU9 4.9 23.1 0.5
O A:ASN367 5.0 16.9 1.0
OD1 B:ASP145 5.0 15.1 1.0

Chlorine binding site 3 out of 6 in 4qol

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Chlorine binding site 3 out of 6 in the Structure of Bacillus Pumilus Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Bacillus Pumilus Catalase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:15.2
occ:1.00
 O D:HOH844 3.1 21.5 1.0
O B:HOH683 3.2 12.8 1.0
O A:HOH606 3.2 13.9 1.0
N B:ASN367 3.4 13.9 1.0
CB B:ASN366 3.7 14.9 1.0
CE D:LYS42 3.7 12.7 1.0
CB B:ASN367 3.9 13.3 1.0
CA B:ASN367 4.0 12.9 1.0
CD D:LYS42 4.1 12.4 1.0
N B:GLN368 4.1 13.5 1.0
CG D:LYS42 4.1 11.9 1.0
CG B:GLN368 4.2 13.3 1.0
C B:ASN367 4.3 13.9 1.0
CG B:ASN366 4.3 16.1 1.0
C B:ASN366 4.4 14.7 1.0
CD1 D:LEU9 4.4 30.9 1.0
CA B:ASN366 4.4 14.1 1.0
NZ D:LYS42 4.5 13.1 1.0
CE1 D:HIS38 4.5 17.5 1.0
OD1 B:ASN366 4.6 16.6 1.0
O A:HOH638 4.6 13.2 1.0
CD2 D:LEU9 4.7 30.7 1.0
OD1 B:ASN367 4.7 17.8 1.0
NE2 B:GLN368 4.7 15.4 1.0
CG B:ASN367 4.7 15.1 1.0
OD1 D:ASN20 4.8 15.9 1.0
CG D:LEU9 4.8 26.6 1.0
CB D:LYS42 5.0 12.5 1.0

Chlorine binding site 4 out of 6 in 4qol

Go back to Chlorine Binding Sites List in 4qol
Chlorine binding site 4 out of 6 in the Structure of Bacillus Pumilus Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Bacillus Pumilus Catalase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:17.2
occ:1.00
 O D:HOH684 3.2 17.9 1.0
O A:HOH679 3.2 23.9 1.0
O C:HOH620 3.2 15.3 1.0
N C:ASN367 3.4 15.0 1.0
CB C:ASN366 3.8 15.2 1.0
CE A:LYS42 3.8 15.6 1.0
CB C:ASN367 3.9 15.8 1.0
CA C:ASN367 4.0 15.1 1.0
CD A:LYS42 4.1 16.4 1.0
N C:GLN368 4.1 13.9 1.0
CG A:LYS42 4.1 15.0 1.0
C C:ASN367 4.2 15.2 1.0
CG C:GLN368 4.2 16.5 1.0
CD1 A:LEU9 4.3 25.1 1.0
C C:ASN366 4.4 16.5 1.0
CG C:ASN366 4.4 16.1 1.0
CA C:ASN366 4.5 15.7 1.0
CE1 A:HIS38 4.5 19.0 1.0
NZ A:LYS42 4.6 15.8 1.0
OD1 C:ASN366 4.6 17.2 1.0
OD1 C:ASN367 4.6 18.4 1.0
CD2 A:LEU9 4.6 29.5 1.0
O D:HOH629 4.7 15.6 1.0
OD1 A:ASN20 4.7 15.4 1.0
CG C:ASN367 4.7 15.6 1.0
CG A:LEU9 4.8 25.6 1.0
NE2 C:GLN368 4.8 18.4 1.0
O C:ASN367 5.0 16.3 1.0

Chlorine binding site 5 out of 6 in 4qol

Go back to Chlorine Binding Sites List in 4qol
Chlorine binding site 5 out of 6 in the Structure of Bacillus Pumilus Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Bacillus Pumilus Catalase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:21.4
occ:1.00
 NH2 C:ARG48 3.3 13.2 1.0
NH2 D:ARG48 3.3 14.0 1.0
O B:HOH833 3.4 25.2 1.0
NE D:ARG48 3.5 12.8 1.0
NE C:ARG48 3.5 10.8 1.0
O A:HOH895 3.6 31.4 1.0
CZ D:ARG48 3.9 13.9 1.0
CZ C:ARG48 3.9 11.1 1.0
CA B:HIS346 4.0 15.4 1.0
N B:HIS346 4.1 13.8 1.0
CB B:HIS346 4.1 16.7 1.0
CA A:HIS346 4.2 14.9 1.0
CB A:HIS346 4.2 16.1 1.0
N A:HIS346 4.2 14.1 1.0
C B:ARG345 4.5 13.2 1.0
C A:ARG345 4.6 14.1 1.0
O B:ARG345 4.6 13.8 1.0
CD D:ARG48 4.7 13.0 1.0
CD C:ARG48 4.7 10.3 1.0
O A:ARG345 4.7 13.8 1.0
CB B:ARG345 4.8 13.1 1.0
CB A:ARG345 4.9 14.7 1.0

Chlorine binding site 6 out of 6 in 4qol

Go back to Chlorine Binding Sites List in 4qol
Chlorine binding site 6 out of 6 in the Structure of Bacillus Pumilus Catalase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Bacillus Pumilus Catalase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:13.6
occ:1.00
 O C:HOH605 3.1 13.0 1.0
O B:HOH643 3.2 23.2 1.0
O C:HOH678 3.2 14.2 1.0
N D:ASN367 3.3 13.6 1.0
CB D:ASN366 3.7 13.4 1.0
CE B:LYS42 3.8 14.0 1.0
CB D:ASN367 3.9 12.9 1.0
CA D:ASN367 3.9 13.3 1.0
CD B:LYS42 4.1 13.7 1.0
N D:GLN368 4.1 12.0 1.0
C D:ASN367 4.2 13.2 1.0
CG B:LYS42 4.2 12.9 1.0
C D:ASN366 4.3 13.6 1.0
CD1 B:LEU9 4.3 26.7 1.0
CG D:GLN368 4.3 11.9 1.0
CG D:ASN366 4.3 13.9 1.0
CA D:ASN366 4.4 13.6 1.0
CE1 B:HIS38 4.5 15.2 1.0
NZ B:LYS42 4.5 14.0 1.0
OD1 D:ASN366 4.6 12.8 1.0
O C:HOH638 4.6 12.4 1.0
OD1 D:ASN367 4.6 15.4 1.0
CD2 B:LEU9 4.6 27.7 1.0
CG D:ASN367 4.7 13.2 1.0
CG B:LEU9 4.7 24.3 1.0
OD1 B:ASN20 4.7 13.3 1.0
NE2 D:GLN368 4.9 13.9 1.0

Reference:

P.C.Loewen, J.Villanueva, J.Switala, L.J.Donald, A.Ivancich. Unprecedented Access of Phenolic Substrates to the Heme Active Site of A Catalase: Substrate Binding and Peroxidase-Like Reactivity of Bacillus Pumilus Catalase Monitored By X-Ray Crystallography and Epr Spectroscopy. Proteins 2015.
ISSN: ESSN 1097-0134
PubMed: 25663126
DOI: 10.1002/PROT.24777
Page generated: Fri Jul 26 00:40:30 2024

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