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Chlorine in PDB 2r9z: Glutathione Amide Reductase From Chromatium Gracile

Protein crystallography data

The structure of Glutathione Amide Reductase From Chromatium Gracile, PDB code: 2r9z was solved by F.Van Petegem, B.Vergauwen, S.Savvides, D.De Vos, J.Van Beeumen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.10
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 71.933, 71.933, 223.854, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 24.6

Other elements in 2r9z:

The structure of Glutathione Amide Reductase From Chromatium Gracile also contains other interesting chemical elements:

Nickel (Ni) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glutathione Amide Reductase From Chromatium Gracile (pdb code 2r9z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Glutathione Amide Reductase From Chromatium Gracile, PDB code: 2r9z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2r9z

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Chlorine binding site 1 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl464

b:48.3
occ:1.00
 NH2 A:ARG104 3.5 28.6 1.0
NE A:ARG104 3.6 28.9 1.0
O A:HOH706 3.8 39.0 1.0
CZ A:ARG104 4.0 29.2 1.0
CG A:ARG104 4.8 30.8 1.0
CD A:ARG104 4.8 29.4 1.0

Chlorine binding site 2 out of 8 in 2r9z

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Chlorine binding site 2 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl465

b:44.9
occ:1.00
 NH2 A:ARG115 3.9 29.7 1.0
NH1 A:ARG115 3.9 30.7 1.0
CZ A:ARG115 4.4 30.8 1.0
CB A:HIS113 4.6 30.1 1.0
CG A:GLU125 4.8 37.0 1.0

Chlorine binding site 3 out of 8 in 2r9z

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Chlorine binding site 3 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl467

b:49.0
occ:1.00
 O A:HOH681 3.5 30.3 1.0
NH2 A:ARG267 3.7 35.8 1.0
C A:ASN265 3.8 27.1 1.0
CA A:ASN265 3.8 26.9 1.0
N A:ARG267 3.9 30.2 1.0
NE A:ARG267 3.9 38.7 1.0
N A:ASP268 4.0 30.2 1.0
CB A:ASN265 4.0 26.9 1.0
N A:THR266 4.0 27.8 1.0
O A:ASN265 4.2 26.9 1.0
CB A:ARG267 4.3 32.0 1.0
CZ A:ARG267 4.3 39.1 1.0
NE2 A:HIS113 4.5 29.4 1.0
CA A:ARG267 4.5 31.5 1.0
OD1 A:ASN265 4.5 26.9 1.0
CB A:ASP268 4.6 29.0 1.0
CG A:ASN265 4.7 26.8 1.0
C A:THR266 4.7 29.5 1.0
C A:ARG267 4.7 31.3 1.0
O A:HOH529 4.8 44.5 1.0
NH1 A:ARG141 4.8 26.9 1.0
CA A:ASP268 4.8 29.4 1.0
CA A:THR266 4.8 28.6 1.0
CG A:ARG267 4.9 34.7 1.0
CD A:ARG267 5.0 38.2 1.0

Chlorine binding site 4 out of 8 in 2r9z

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Chlorine binding site 4 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl469

b:64.1
occ:1.00
 ND1 A:HIS58 3.4 39.0 1.0
CB A:HIS345 3.8 32.9 1.0
CA A:HIS345 3.9 32.0 1.0
CA A:HIS58 3.9 31.1 1.0
CZ2 A:TRP54 3.9 29.3 1.0
CB A:HIS58 3.9 31.4 1.0
NE1 A:TRP54 4.0 30.5 1.0
CE2 A:TRP54 4.0 31.7 1.0
CG A:HIS58 4.1 35.5 1.0
O A:ALA344 4.4 31.5 1.0
N A:HIS58 4.4 31.7 1.0
CA A:PRO346 4.5 29.7 1.0
CE1 A:HIS58 4.5 38.9 1.0
CH2 A:TRP54 4.7 30.5 1.0
O A:HOH738 4.7 40.7 1.0
C A:HIS345 4.7 31.6 1.0
OG A:SER57 4.8 35.2 1.0
CD A:PRO347 4.9 28.6 1.0
N A:PRO346 4.9 30.9 1.0
CD1 A:TRP54 4.9 29.9 1.0
CD2 A:TRP54 4.9 27.7 1.0
N A:HIS345 5.0 31.0 1.0
C A:SER57 5.0 32.2 1.0

Chlorine binding site 5 out of 8 in 2r9z

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Chlorine binding site 5 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl464

b:49.0
occ:1.00
 NH2 B:ARG104 3.5 28.8 1.0
NE B:ARG104 3.7 30.7 1.0
CZ B:ARG104 4.1 28.5 1.0
O B:HOH667 4.1 42.6 1.0
CG B:ARG104 4.9 31.9 1.0
CD B:ARG104 4.9 31.1 1.0

Chlorine binding site 6 out of 8 in 2r9z

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Chlorine binding site 6 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl465

b:47.8
occ:1.00
 NH2 B:ARG115 3.7 30.4 1.0
O B:HOH548 3.7 32.6 1.0
NH1 B:ARG115 3.8 29.3 1.0
CZ B:ARG115 4.2 29.6 1.0
CB B:HIS113 4.7 27.9 1.0

Chlorine binding site 7 out of 8 in 2r9z

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Chlorine binding site 7 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl467

b:49.9
occ:1.00
 NH2 B:ARG267 2.9 51.5 1.0
O B:HOH582 3.5 32.0 1.0
C B:ASN265 3.7 27.9 1.0
CA B:ASN265 3.8 27.8 1.0
N B:ARG267 3.8 31.7 1.0
CB B:ASN265 4.0 27.9 1.0
CZ B:ARG267 4.0 48.5 1.0
CB B:ARG267 4.0 34.5 1.0
N B:THR266 4.0 28.9 1.0
O B:ASN265 4.1 27.6 1.0
OD2 B:ASP268 4.3 37.8 1.0
N B:ASP268 4.3 34.0 1.0
CA B:ARG267 4.4 33.8 1.0
NE2 B:HIS113 4.4 26.6 1.0
OD1 B:ASN265 4.5 27.4 1.0
CG B:ASN265 4.6 27.9 1.0
NH1 B:ARG267 4.7 50.9 1.0
C B:THR266 4.7 30.4 1.0
NE B:ARG267 4.7 46.5 1.0
CA B:THR266 4.8 29.6 1.0
NH1 B:ARG141 4.8 29.6 1.0
CD B:ARG267 4.8 42.7 1.0
C B:ARG267 4.9 33.8 1.0

Chlorine binding site 8 out of 8 in 2r9z

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Chlorine binding site 8 out of 8 in the Glutathione Amide Reductase From Chromatium Gracile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Glutathione Amide Reductase From Chromatium Gracile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl469

b:62.0
occ:1.00
 ND1 B:HIS58 3.4 37.8 1.0
CA B:HIS58 3.8 31.4 1.0
CB B:HIS58 4.0 31.9 1.0
CB B:HIS345 4.0 32.3 1.0
CA B:HIS345 4.0 31.6 1.0
CZ2 B:TRP54 4.1 28.0 1.0
CG B:HIS58 4.1 35.8 1.0
CE2 B:TRP54 4.3 28.2 1.0
NE1 B:TRP54 4.4 29.7 1.0
N B:HIS58 4.4 31.9 1.0
CA B:PRO346 4.5 28.5 1.0
CE1 B:HIS58 4.5 38.3 1.0
O B:ALA344 4.7 31.5 1.0
CH2 B:TRP54 4.7 28.4 1.0
C B:HIS345 4.8 30.9 1.0
N B:PRO346 4.9 29.6 1.0
CD B:PRO347 5.0 26.6 1.0
C B:SER57 5.0 32.4 1.0

Reference:

F.Van Petegem, D.De Vos, S.Savvides, B.Vergauwen, J.Van Beeumen. Understanding Nicotinamide Dinucleotide Cofactor and Substrate Specificity in Class I Flavoprotein Disulfide Oxidoreductases: Crystallographic Analysis of A Glutathione Amide Reductase. J.Mol.Biol. V. 374 883 2007.
ISSN: ISSN 0022-2836
PubMed: 17977556
DOI: 10.1016/J.JMB.2007.09.072
Page generated: Sat Jul 20 11:12:19 2024

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