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Chlorine in PDB 6rjn: Crystal Structure of A Fungal Catalase at 2.3 Angstroms

Enzymatic activity of Crystal Structure of A Fungal Catalase at 2.3 Angstroms

All present enzymatic activity of Crystal Structure of A Fungal Catalase at 2.3 Angstroms:
1.11.1.6;

Protein crystallography data

The structure of Crystal Structure of A Fungal Catalase at 2.3 Angstroms, PDB code: 6rjn was solved by S.Gomez, S.Navas-Yuste, A.M.Payne, W.Rivera, M.Lopez-Estepa, C.Brangbour, D.Fulla, J.Juanhuix, F.J.Fernandez, M.C.Vega, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.67 / 2.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 165.943, 173.690, 96.490, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 19.6

Other elements in 6rjn:

The structure of Crystal Structure of A Fungal Catalase at 2.3 Angstroms also contains other interesting chemical elements:

Potassium (K) 7 atoms
Iron (Fe) 4 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms (pdb code 6rjn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms, PDB code: 6rjn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6rjn

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Chlorine binding site 1 out of 5 in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms


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 Fungal Catalase at 2.3 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:35.2
occ:1.00
 NH2 A:ARG57 3.3 19.5 1.0
NE A:ARG57 3.4 17.4 1.0
NH2 C:ARG57 3.4 21.4 1.0
NE C:ARG57 3.5 23.7 1.0
CZ A:ARG57 3.8 21.5 1.0
CZ C:ARG57 4.0 22.1 1.0
CA B:HIS355 4.2 23.7 1.0
CA D:HIS355 4.2 17.8 1.0
N B:HIS355 4.3 24.1 1.0
N D:HIS355 4.3 20.6 1.0
CB B:HIS355 4.3 22.4 1.0
C B:ARG354 4.4 20.7 1.0
CB D:HIS355 4.4 24.3 1.0
C D:ARG354 4.5 23.2 1.0
O D:ARG354 4.5 26.1 1.0
CD A:ARG57 4.6 21.6 1.0
CB B:ARG354 4.6 23.2 1.0
O B:ARG354 4.6 19.4 1.0
CD C:ARG57 4.7 27.8 1.0
CB D:ARG354 4.8 23.6 1.0

Chlorine binding site 2 out of 5 in 6rjn

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Chlorine binding site 2 out of 5 in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms


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 Fungal Catalase at 2.3 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:50.7
occ:1.00
 N A:ARG457 3.3 38.9 1.0
O A:HOH809 3.3 32.3 1.0
N A:GLY454 3.6 27.5 1.0
CB A:ARG457 3.7 42.0 1.0
CA A:GLY454 3.7 39.6 1.0
N A:GLN456 3.8 33.7 1.0
C A:GLY454 3.8 38.8 1.0
CB A:GLN456 3.8 31.4 1.0
CA A:ARG457 4.1 35.1 1.0
CA A:GLN456 4.1 34.5 1.0
N A:GLN455 4.1 39.3 1.0
C A:GLN456 4.1 33.1 1.0
O A:GLY454 4.2 35.4 1.0
C A:GLN455 4.7 34.3 1.0
OE1 A:GLN456 4.7 38.7 1.0
C A:PRO453 4.8 32.7 1.0
CG A:ARG457 4.8 54.0 1.0
CG A:GLN456 5.0 32.8 1.0

Chlorine binding site 3 out of 5 in 6rjn

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Chlorine binding site 3 out of 5 in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms


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 Fungal Catalase at 2.3 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl609

b:35.1
occ:1.00
 NH2 B:ARG57 3.2 21.8 1.0
NH2 D:ARG57 3.3 28.4 1.0
O C:HOH792 3.5 37.2 1.0
NE B:ARG57 3.5 27.7 1.0
NE D:ARG57 3.5 20.2 1.0
CZ B:ARG57 3.8 22.4 1.0
CZ D:ARG57 3.8 22.1 1.0
CA C:HIS355 4.2 25.9 1.0
CA A:HIS355 4.2 23.4 1.0
N C:HIS355 4.2 23.2 1.0
N A:HIS355 4.3 18.8 1.0
CB A:HIS355 4.4 22.0 1.0
C A:ARG354 4.4 21.0 1.0
C C:ARG354 4.5 25.6 1.0
CB C:HIS355 4.5 23.3 1.0
O A:ARG354 4.6 23.3 1.0
O C:ARG354 4.6 23.2 1.0
CB A:ARG354 4.7 22.5 1.0
CD B:ARG57 4.7 27.6 1.0
CB C:ARG354 4.7 25.1 1.0
CD D:ARG57 4.7 27.4 1.0
O A:HOH836 4.9 38.9 1.0

Chlorine binding site 4 out of 5 in 6rjn

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Chlorine binding site 4 out of 5 in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms


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 Fungal Catalase at 2.3 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl610

b:46.2
occ:1.00
 N B:ARG457 3.2 34.5 1.0
N B:GLY454 3.3 34.3 1.0
CA B:GLY454 3.4 35.3 1.0
CB B:ARG457 3.5 30.1 1.0
O B:HOH813 3.5 24.8 1.0
C B:GLY454 3.6 32.3 1.0
O B:HOH957 3.8 50.1 1.0
N B:GLN456 3.8 26.0 1.0
CB B:GLN456 3.9 34.2 1.0
CA B:ARG457 3.9 29.3 1.0
O B:GLY454 4.0 30.6 1.0
N B:GLN455 4.0 39.1 1.0
O B:HOH714 4.0 37.1 1.0
NH2 B:ARG457 4.1 52.3 1.0
CA B:GLN456 4.1 30.9 1.0
C B:GLN456 4.1 32.7 1.0
CZ B:ARG457 4.2 66.7 1.0
NH1 B:ARG457 4.5 63.6 1.0
C B:PRO453 4.5 43.4 1.0
NE B:ARG457 4.6 70.6 1.0
C B:GLN455 4.6 25.8 1.0
CG B:ARG457 4.8 39.5 1.0
OE1 B:GLN456 4.9 38.6 1.0
CA B:PRO453 4.9 37.0 1.0
CA B:GLN455 5.0 34.3 1.0
CG B:GLN456 5.0 37.6 1.0
CD B:ARG457 5.0 61.9 1.0

Chlorine binding site 5 out of 5 in 6rjn

Go back to Chlorine Binding Sites List in 6rjn
Chlorine binding site 5 out of 5 in the Crystal Structure of A Fungal Catalase at 2.3 Angstroms


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Fungal Catalase at 2.3 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl607

b:64.1
occ:1.00
 O D:HOH705 3.7 42.5 1.0
O D:HOH959 3.8 46.5 1.0
OE1 D:GLN456 4.0 41.1 1.0
NH2 D:ARG457 4.1 48.6 1.0
OE1 D:GLU488 4.1 63.4 1.0
CZ D:ARG457 4.3 56.7 1.0
CZ2 D:TRP446 4.3 35.0 1.0
NE D:ARG457 4.5 71.8 1.0
O D:HOH703 4.5 43.8 1.0
CG D:GLN492 4.7 39.2 1.0
CH2 D:TRP446 4.7 28.2 1.0
CG D:ARG457 4.8 58.5 1.0
OE1 D:GLN492 4.8 47.1 1.0
CD D:GLN492 4.8 52.0 1.0
CB D:GLN456 4.8 30.0 1.0
NH1 D:ARG457 4.9 52.2 1.0

Reference:

S.Gomez, S.Navas-Yuste, A.M.Payne, W.Rivera, M.Lopez-Estepa, C.Brangbour, D.Fulla, J.Juanhuix, F.J.Fernandez, M.C.Vega. Peroxisomal Catalases From the Yeasts Pichia Pastoris and Kluyveromyces Lactis As Models For Oxidative Damage in Higher Eukaryotes. Free Radic. Biol. Med. V. 141 279 2019.
ISSN: ISSN 1873-4596
PubMed: 31238127
DOI: 10.1016/J.FREERADBIOMED.2019.06.025
Page generated: Mon Jul 29 14:31:53 2024

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