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Chlorine in PDB 4qor: Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.

Enzymatic activity of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.

All present enzymatic activity of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.:
1.11.1.6;

Protein crystallography data

The structure of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound., PDB code: 4qor 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) 102.97 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 91.660, 109.080, 103.030, 90.00, 91.90, 90.00
R / Rfree (%) 18.2 / 22

Other elements in 4qor:

The structure of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound. also contains other interesting chemical elements:

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

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound. (pdb code 4qor). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound., PDB code: 4qor:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4qor

Go back to Chlorine Binding Sites List in 4qor
Chlorine binding site 1 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


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 with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:45.5
occ:1.00
 CL8 A:2CH503 0.0 45.5 1.0
C6 A:2CH503 1.8 38.6 1.0
C1 A:2CH503 2.7 37.9 1.0
O A:2CH503 2.8 38.5 1.0
C5 A:2CH503 2.8 36.2 1.0
CD2 A:LEU178 3.6 29.9 1.0
CD2 A:LEU181 3.7 27.2 1.0
CD2 A:LEU150 3.8 22.4 1.0
CD1 A:TYR164 4.0 23.8 1.0
CE1 A:TYR164 4.0 24.4 1.0
C2 A:2CH503 4.0 35.4 1.0
CE2 A:PHE136 4.1 27.1 1.0
CE2 A:PHE182 4.1 28.7 1.0
C4 A:2CH503 4.1 37.3 1.0
CE A:MET168 4.4 25.2 1.0
CZ A:PHE182 4.5 29.3 1.0
C3 A:2CH503 4.5 36.1 1.0
CZ A:PHE136 4.7 27.3 1.0
CG A:MET168 4.7 23.4 1.0
CG A:TYR164 4.7 22.0 1.0
CZ A:TYR164 4.8 27.3 1.0
CD2 A:PHE136 4.9 25.4 1.0

Chlorine binding site 2 out of 12 in 4qor

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Chlorine binding site 2 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


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 with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:29.5
occ:1.00
 NH2 B:ARG48 3.1 14.3 1.0
NH2 A:ARG48 3.2 15.6 1.0
O D:HOH798 3.3 31.4 1.0
NE B:ARG48 3.4 14.9 1.0
O C:HOH942 3.4 33.2 1.0
NE A:ARG48 3.4 15.7 1.0
CZ B:ARG48 3.7 14.8 1.0
CZ A:ARG48 3.8 15.5 1.0
CB C:HIS346 4.1 20.2 1.0
CB D:HIS346 4.1 19.2 1.0
CA D:HIS346 4.2 17.8 1.0
CA C:HIS346 4.2 17.7 1.0
N C:HIS346 4.3 17.6 1.0
N D:HIS346 4.3 16.4 1.0
C C:ARG345 4.6 16.0 1.0
C D:ARG345 4.6 15.5 1.0
CD B:ARG48 4.6 15.2 1.0
CD A:ARG48 4.6 14.9 1.0
O D:ARG345 4.6 17.6 1.0
O C:ARG345 4.7 16.5 1.0
CB D:ARG345 4.8 14.2 1.0
CB C:ARG345 4.8 15.5 1.0

Chlorine binding site 3 out of 12 in 4qor

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Chlorine binding site 3 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


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 with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:18.7
occ:1.00
 O B:HOH636 3.1 14.6 1.0
O C:HOH693 3.2 25.4 1.0
N A:ASN367 3.2 18.4 1.0
O C:HOH608 3.3 19.7 1.0
CB A:ASN366 3.7 18.8 1.0
CE C:LYS42 3.8 17.3 1.0
CB A:ASN367 3.8 18.1 1.0
CA A:ASN367 3.9 18.1 1.0
CD C:LYS42 4.1 16.8 1.0
CG C:LYS42 4.1 16.6 1.0
N A:GLN368 4.2 16.6 1.0
C A:ASN367 4.2 18.5 1.0
CD1 C:LEU9 4.3 25.4 0.5
C A:ASN366 4.3 18.0 1.0
CG A:ASN366 4.4 18.5 1.0
CA A:ASN366 4.4 18.5 1.0
CG A:GLN368 4.4 17.2 1.0
NZ C:LYS42 4.5 17.3 1.0
CE1 C:HIS38 4.5 20.9 1.0
CD2 C:LEU9 4.5 25.8 0.5
O B:HOH613 4.6 28.9 1.0
OD1 A:ASN366 4.6 18.4 1.0
OD1 A:ASN367 4.6 21.3 1.0
OD1 C:ASN20 4.7 18.7 1.0
CD1 C:LEU9 4.7 27.8 0.5
CG A:ASN367 4.7 18.5 1.0
CD2 C:LEU9 4.8 28.9 0.5
CG C:LEU9 4.8 27.5 0.5
CG C:LEU9 4.9 25.4 0.5
NE2 A:GLN368 4.9 16.4 1.0
O A:ASN367 5.0 18.5 1.0

Chlorine binding site 4 out of 12 in 4qor

Go back to Chlorine Binding Sites List in 4qor
Chlorine binding site 4 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


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 with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:37.0
occ:1.00
 CL8 B:2CH503 0.0 37.0 1.0
C6 B:2CH503 1.8 31.5 1.0
C1 B:2CH503 2.8 32.6 1.0
O B:2CH503 2.8 33.9 1.0
C5 B:2CH503 2.9 32.4 1.0
CD2 B:LEU178 3.5 22.6 1.0
CD2 B:LEU150 3.8 19.7 1.0
CD2 B:LEU181 3.8 22.5 1.0
CD1 B:TYR164 3.9 18.4 1.0
CE2 B:PHE136 4.0 20.1 1.0
CE1 B:TYR164 4.0 19.5 1.0
C2 B:2CH503 4.1 30.5 1.0
C4 B:2CH503 4.1 32.4 1.0
CE B:MET168 4.2 20.0 1.0
CE2 B:PHE182 4.2 24.8 1.0
CG B:MET168 4.5 19.3 1.0
C3 B:2CH503 4.6 31.6 1.0
CZ B:PHE182 4.6 22.8 1.0
CZ B:PHE136 4.7 20.2 1.0
CG B:TYR164 4.7 18.7 1.0
CD2 B:PHE136 4.8 19.3 1.0
CZ B:TYR164 4.9 19.0 1.0
SD B:MET168 4.9 20.5 1.0
CG B:LEU150 5.0 18.6 1.0
CG B:LEU178 5.0 21.2 1.0

Chlorine binding site 5 out of 12 in 4qor

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Chlorine binding site 5 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


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 with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:60.8
occ:1.00
 CL8 B:2CH504 0.0 60.8 1.0
C6 B:2CH504 1.8 50.4 1.0
C5 B:2CH504 2.7 48.7 1.0
C1 B:2CH504 2.8 50.9 1.0
O B:2CH504 3.1 55.6 1.0
CB B:TYR485 3.6 49.7 1.0
C4 B:2CH504 4.0 47.7 1.0
C2 B:2CH504 4.1 47.9 1.0
C B:TYR485 4.3 45.2 1.0
C3 B:2CH504 4.5 47.3 1.0
SG B:CYS461 4.6 34.3 1.0
CA B:TYR485 4.6 45.3 1.0
CG B:TYR485 4.7 49.9 1.0

Chlorine binding site 6 out of 12 in 4qor

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Chlorine binding site 6 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


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 with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:18.4
occ:1.00
 O D:HOH838 3.1 34.3 1.0
O A:HOH680 3.2 19.6 1.0
O A:HOH606 3.2 13.6 1.0
N B:ASN367 3.3 17.9 1.0
CB B:ASN366 3.7 19.1 1.0
CE D:LYS42 3.8 19.8 1.0
CB B:ASN367 3.9 19.0 1.0
CA B:ASN367 4.0 18.7 1.0
CD D:LYS42 4.1 18.7 1.0
CG D:LYS42 4.1 19.1 1.0
N B:GLN368 4.2 18.9 1.0
C B:ASN367 4.3 19.1 1.0
C B:ASN366 4.3 18.3 1.0
CG B:GLN368 4.3 18.3 1.0
CG B:ASN366 4.3 20.5 1.0
CA B:ASN366 4.4 18.5 1.0
CE1 D:HIS38 4.5 21.2 1.0
NZ D:LYS42 4.5 19.1 1.0
O A:HOH641 4.5 22.6 1.0
OD1 B:ASN366 4.6 21.2 1.0
OD1 D:ASN20 4.7 18.1 1.0
CD1 D:LEU9 4.7 35.2 1.0
OD1 B:ASN367 4.7 22.2 1.0
CG B:ASN367 4.7 19.3 1.0
CD2 D:LEU9 4.8 34.0 1.0
CG D:LEU9 4.8 31.8 1.0
NE2 B:GLN368 4.9 17.8 1.0

Chlorine binding site 7 out of 12 in 4qor

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Chlorine binding site 7 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:36.9
occ:1.00
 CL8 C:2CH503 0.0 36.9 1.0
C6 C:2CH503 1.8 32.2 1.0
C5 C:2CH503 2.8 31.1 1.0
C1 C:2CH503 2.8 32.8 1.0
O C:2CH503 3.0 36.9 1.0
CD2 C:LEU178 3.5 17.7 1.0
CD1 C:TYR164 3.8 17.3 1.0
CD2 C:LEU150 3.8 16.4 1.0
CD2 C:LEU181 3.9 19.2 1.0
CE1 C:TYR164 3.9 17.7 1.0
C4 C:2CH503 4.1 31.1 1.0
CE2 C:PHE136 4.1 22.9 1.0
C2 C:2CH503 4.1 31.4 1.0
CE2 C:PHE182 4.1 17.8 1.0
CE C:MET168 4.3 17.8 1.0
CG C:MET168 4.6 17.2 1.0
C3 C:2CH503 4.6 30.9 1.0
CZ C:PHE182 4.6 17.9 1.0
CG C:TYR164 4.6 16.8 1.0
CZ C:PHE136 4.8 22.0 1.0
CZ C:TYR164 4.8 17.5 1.0
CD2 C:PHE136 4.9 21.1 1.0
CG C:LEU178 5.0 17.2 1.0

Chlorine binding site 8 out of 12 in 4qor

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Chlorine binding site 8 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:26.2
occ:1.00
 NH2 C:ARG48 3.1 15.1 1.0
NH2 D:ARG48 3.2 16.8 1.0
NE C:ARG48 3.4 14.8 1.0
NE D:ARG48 3.4 16.6 1.0
O B:HOH832 3.6 33.1 1.0
O A:HOH895 3.6 37.2 1.0
CZ C:ARG48 3.7 14.9 1.0
CZ D:ARG48 3.8 17.1 1.0
CB B:HIS346 4.0 18.2 1.0
CA B:HIS346 4.0 17.6 1.0
N B:HIS346 4.1 17.4 1.0
CB A:HIS346 4.1 20.2 1.0
CA A:HIS346 4.2 18.5 1.0
N A:HIS346 4.2 18.1 1.0
C B:ARG345 4.5 17.5 1.0
C A:ARG345 4.5 17.1 1.0
O B:ARG345 4.6 19.3 1.0
O A:ARG345 4.7 17.0 1.0
CD D:ARG48 4.7 16.8 1.0
CD C:ARG48 4.7 14.7 1.0
CB B:ARG345 4.8 16.9 1.0
CB A:ARG345 4.8 17.9 1.0

Chlorine binding site 9 out of 12 in 4qor

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Chlorine binding site 9 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:22.2
occ:1.00
 O C:HOH620 3.1 21.1 1.0
O A:HOH681 3.2 21.8 1.0
N C:ASN367 3.2 17.7 1.0
O D:HOH680 3.4 18.7 1.0
CB C:ASN366 3.6 18.0 1.0
CB C:ASN367 3.8 19.0 1.0
CE A:LYS42 3.8 16.2 1.0
CA C:ASN367 3.9 18.2 1.0
N C:GLN368 4.0 18.8 1.0
CD A:LYS42 4.1 16.1 1.0
C C:ASN367 4.1 19.1 1.0
CG A:LYS42 4.2 15.8 1.0
CG C:GLN368 4.2 20.9 1.0
C C:ASN366 4.2 17.6 1.0
CG C:ASN366 4.2 18.1 1.0
CA C:ASN366 4.3 17.9 1.0
OD1 C:ASN366 4.5 19.1 1.0
CE1 A:HIS38 4.5 18.0 1.0
NZ A:LYS42 4.6 17.1 1.0
OD1 C:ASN367 4.6 22.0 1.0
CD1 A:LEU9 4.7 28.0 1.0
CG C:ASN367 4.7 19.9 1.0
O D:HOH629 4.7 17.3 1.0
OD1 A:ASN20 4.7 21.2 1.0
NE2 C:GLN368 4.8 22.6 1.0
CD2 A:LEU9 4.8 32.3 1.0
CG A:LEU9 4.9 28.1 1.0
O C:ASN367 4.9 18.4 1.0
ND2 C:ASN366 5.0 18.6 1.0
CA C:GLN368 5.0 18.4 1.0

Chlorine binding site 10 out of 12 in 4qor

Go back to Chlorine Binding Sites List in 4qor
Chlorine binding site 10 out of 12 in the Structure of Bacillus Pumilus Catalase with Chlorophenol Bound.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Bacillus Pumilus Catalase with Chlorophenol Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:39.5
occ:1.00
 CL8 D:2CH503 0.0 39.5 1.0
C6 D:2CH503 1.8 36.8 1.0
C1 D:2CH503 2.8 36.0 1.0
C5 D:2CH503 2.8 34.7 1.0
O D:2CH503 2.9 36.9 1.0
CD2 D:LEU178 3.5 22.8 1.0
CD2 D:LEU181 3.8 20.5 1.0
CD2 D:LEU150 3.8 20.4 1.0
CD1 D:TYR164 3.9 21.0 1.0
CE2 D:PHE136 4.0 21.1 1.0
CE1 D:TYR164 4.0 21.0 1.0
CE2 D:PHE182 4.1 24.3 1.0
C2 D:2CH503 4.1 36.7 1.0
C4 D:2CH503 4.1 36.3 1.0
CE D:MET168 4.3 23.0 1.0
CZ D:PHE182 4.5 24.7 1.0
C3 D:2CH503 4.6 36.2 1.0
CG D:MET168 4.6 22.1 1.0
CZ D:PHE136 4.7 20.2 1.0
CG D:TYR164 4.7 20.9 1.0
CD2 D:PHE136 4.9 20.5 1.0
CZ D:TYR164 4.9 21.6 1.0
CG D:LEU178 5.0 21.3 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 00:40:29 2024

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