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Chlorine in PDB 2ohj: Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State

Protein crystallography data

The structure of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State, PDB code: 2ohj was solved by H.Seedorf, E.Warkentin, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.11 / 2.26
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 88.700, 88.700, 450.400, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 23.4

Other elements in 2ohj:

The structure of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State also contains other interesting chemical elements:

Iron (Fe) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State (pdb code 2ohj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State, PDB code: 2ohj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2ohj

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Chlorine binding site 1 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


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 Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:28.2
occ:1.00
 NH1 A:ARG298 3.6 21.9 1.0
NH2 A:ARG298 3.6 21.2 1.0
OH B:TYR323 3.7 22.3 1.0
ND2 A:ASN24 3.9 32.0 1.0
ND1 B:HIS294 4.0 34.7 1.0
CZ A:ARG298 4.1 22.5 1.0
CE1 B:HIS294 4.2 35.5 1.0
OD1 A:ASN24 4.4 31.8 1.0
CE2 B:TYR323 4.5 20.0 1.0
CZ B:TYR323 4.6 20.4 1.0
CG A:ASN24 4.6 29.1 1.0

Chlorine binding site 2 out of 7 in 2ohj

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Chlorine binding site 2 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


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 Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:33.8
occ:1.00
 O A:HOH764 3.2 37.5 1.0
OH A:TYR323 3.3 24.2 1.0
NH2 B:ARG298 3.6 18.3 1.0
NH1 B:ARG298 3.7 16.9 1.0
ND1 A:HIS294 3.8 38.0 1.0
O B:HOH1814 4.0 25.7 1.0
ND2 B:ASN24 4.1 33.3 1.0
CE1 A:HIS294 4.1 38.6 1.0
CZ B:ARG298 4.1 20.6 1.0
CZ A:TYR323 4.3 23.4 1.0
CE2 A:TYR323 4.3 24.1 1.0
OD1 B:ASN24 4.5 34.5 1.0
CG B:ASN24 4.7 31.8 1.0

Chlorine binding site 3 out of 7 in 2ohj

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Chlorine binding site 3 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


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 Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl519

b:47.7
occ:1.00
 O B:HOH1719 3.8 23.1 1.0
NH2 B:ARG75 3.8 37.5 1.0
O B:GLU74 4.0 30.0 1.0
CB B:ARG75 4.0 28.1 1.0
NE B:ARG75 4.0 36.2 1.0
CZ B:ARG75 4.2 38.5 1.0
CE1 B:PHE99 4.6 24.2 1.0
CA B:ARG75 4.6 28.1 1.0
C B:GLU74 4.7 28.9 1.0
CD1 B:PHE99 4.9 23.6 1.0
N B:ARG75 4.9 28.2 1.0

Chlorine binding site 4 out of 7 in 2ohj

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Chlorine binding site 4 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


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 Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl517

b:27.6
occ:1.00
 O E:HOH3828 2.9 51.1 1.0
O E:HOH3757 3.3 31.0 1.0
O D:HOH2756 3.5 30.3 1.0
NH2 D:ARG298 3.6 22.6 1.0
OH E:TYR323 3.7 20.2 1.0
NH1 D:ARG298 3.7 19.0 1.0
O D:HOH2734 4.1 24.2 1.0
ND2 D:ASN24 4.1 34.1 1.0
CZ D:ARG298 4.1 22.0 1.0
ND1 E:HIS294 4.2 36.2 1.0
OD1 D:ASN24 4.4 33.4 1.0
CE2 E:TYR323 4.4 20.1 1.0
CE1 E:HIS294 4.5 36.2 1.0
CZ E:TYR323 4.5 20.6 1.0
CG D:ASN24 4.7 30.5 1.0
O E:HOH3808 4.8 27.7 1.0

Chlorine binding site 5 out of 7 in 2ohj

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Chlorine binding site 5 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


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 Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl518

b:36.7
occ:1.00
 OH D:TYR323 3.4 22.4 1.0
NH1 E:ARG298 3.5 22.4 1.0
ND2 E:ASN24 3.6 37.3 1.0
ND1 D:HIS294 3.6 35.7 1.0
CE1 D:HIS294 3.7 37.2 1.0
NH2 E:ARG298 3.7 25.4 1.0
CZ E:ARG298 4.1 25.7 1.0
CZ D:TYR323 4.4 22.6 1.0
CE2 D:TYR323 4.4 22.0 1.0
CG E:ASN24 4.5 33.8 1.0
OD1 E:ASN24 4.6 36.5 1.0
CA E:GLY27 4.7 31.2 1.0
CG D:HIS294 5.0 33.4 1.0
NE2 D:HIS294 5.0 37.4 1.0

Chlorine binding site 6 out of 7 in 2ohj

Go back to Chlorine Binding Sites List in 2ohj
Chlorine binding site 6 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl521

b:36.5
occ:1.00
 O D:HOH2769 2.9 17.0 1.0
N D:LEU149 3.1 24.5 1.0
CE D:LYS213 3.3 18.5 1.0
CD D:PRO148 3.4 23.2 1.0
NZ D:LYS213 3.5 17.2 1.0
CG D:PRO148 3.6 22.8 1.0
CA D:LEU149 3.6 25.2 1.0
N D:PRO148 3.7 23.2 1.0
CD2 D:LEU149 4.0 25.3 1.0
CG D:LEU149 4.1 25.3 1.0
C D:THR147 4.2 23.3 1.0
C D:PRO148 4.2 23.9 1.0
CA D:THR147 4.3 22.8 1.0
CB D:LEU149 4.4 25.3 1.0
CA D:PRO148 4.4 23.9 1.0
CB D:PRO148 4.6 23.5 1.0
CD D:LYS213 4.8 21.1 1.0
O D:GLU146 4.8 23.0 1.0
CD2 D:LEU209 4.9 27.2 1.0
O D:LEU209 4.9 23.1 1.0
C D:LEU149 4.9 25.5 1.0
O D:THR147 5.0 23.0 1.0

Chlorine binding site 7 out of 7 in 2ohj

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Chlorine binding site 7 out of 7 in the Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Coenzyme F420H2 Oxidase (Fpra), A Diiron Flavoprotein, Inactive Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl520

b:52.3
occ:1.00
 NH2 E:ARG122 3.6 26.1 1.0
CA E:SER120 4.0 22.0 1.0
NE E:ARG122 4.0 28.8 1.0
N E:SER120 4.0 22.1 1.0
CB E:SER120 4.1 22.1 1.0
CZ E:ARG122 4.2 26.9 1.0
C E:PRO119 4.5 22.0 1.0
CB E:PRO119 4.6 21.5 1.0
O E:PRO119 4.9 21.8 1.0

Reference:

H.Seedorf, C.H.Hagemeier, S.Shima, R.K.Thauer, E.Warkentin, U.Ermler. Structure of Coenzyme F420H2 Oxidase (Fpra), A Di-Iron Flavoprotein From Methanogenic Archaea Catalyzing the Reduction of O2 to H2O. Febs J. V. 274 1588 2007.
ISSN: ISSN 1742-464X
PubMed: 17480207
DOI: 10.1111/J.1742-4658.2007.05706.X
Page generated: Sat Jul 20 09:33:03 2024

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