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Iron in PDB 2fjb: Adenosine-5'-Phosphosulfate Reductase Im Complex with Products

Enzymatic activity of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products

All present enzymatic activity of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products:
1.8.99.2;

Protein crystallography data

The structure of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products, PDB code: 2fjb was solved by A.Schiffer, G.Fritz, P.M.Kroneck, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.600, 113.500, 193.900, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.2

Other elements in 2fjb:

The structure of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products (pdb code 2fjb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products, PDB code: 2fjb:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in 2fjb

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Iron binding site 1 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:15.2
occ:1.00
 FE1 B:SF41100 0.0 15.2 1.0
S2 B:SF41100 2.3 13.5 1.0
S3 B:SF41100 2.3 14.8 1.0
S4 B:SF41100 2.3 13.9 1.0
SG B:CYS725 2.4 14.9 1.0
FE3 B:SF41100 2.6 15.0 1.0
FE4 B:SF41100 2.6 15.3 1.0
FE2 B:SF41100 2.7 14.1 1.0
CB B:CYS725 3.4 14.6 1.0
S1 B:SF41100 3.9 13.2 1.0
CA B:CYS725 3.9 14.3 1.0
CD B:PRO726 4.1 12.1 1.0
CD1 B:LEU729 4.2 12.2 1.0
CB B:LEU729 4.4 12.9 1.0
CG B:LEU729 4.4 12.2 1.0
N B:PRO726 4.5 14.4 1.0
C B:CYS725 4.5 13.2 1.0
SG B:CYS750 4.6 13.8 1.0
CG B:MET730 4.8 13.9 1.0
N B:ASN727 4.8 11.5 1.0
SG B:CYS753 4.9 17.0 1.0

Iron binding site 2 out of 16 in 2fjb

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Iron binding site 2 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:14.1
occ:1.00
 FE2 B:SF41100 0.0 14.1 1.0
S3 B:SF41100 2.2 14.8 1.0
S1 B:SF41100 2.3 13.2 1.0
S4 B:SF41100 2.3 13.9 1.0
SG B:CYS747 2.4 13.5 1.0
FE4 B:SF41100 2.7 15.3 1.0
FE3 B:SF41100 2.7 15.0 1.0
FE1 B:SF41100 2.7 15.2 1.0
CB B:CYS747 3.5 11.9 1.0
S2 B:SF41100 3.8 13.5 1.0
CA B:CYS747 3.9 11.6 1.0
N B:GLU749 4.0 11.2 1.0
N B:TRP748 4.1 11.2 1.0
CD1 B:LEU729 4.1 12.2 1.0
OG B:SER703 4.2 12.1 1.0
C B:CYS747 4.4 10.0 1.0
ND2 B:ASN741 4.4 14.0 1.0
CA B:GLU749 4.5 11.0 1.0
CB B:SER703 4.5 10.0 1.0
N B:CYS750 4.6 11.5 1.0
N B:SER703 4.8 10.3 1.0
SG B:CYS753 4.9 17.0 1.0
SG B:CYS750 5.0 13.8 1.0
SG B:CYS725 5.0 14.9 1.0

Iron binding site 3 out of 16 in 2fjb

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Iron binding site 3 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:15.0
occ:1.00
 FE3 B:SF41100 0.0 15.0 1.0
S2 B:SF41100 2.2 13.5 1.0
S4 B:SF41100 2.2 13.9 1.0
S1 B:SF41100 2.3 13.2 1.0
SG B:CYS750 2.4 13.8 1.0
FE1 B:SF41100 2.6 15.2 1.0
FE4 B:SF41100 2.7 15.3 1.0
FE2 B:SF41100 2.7 14.1 1.0
N B:CYS750 3.6 11.5 1.0
CB B:CYS750 3.6 12.8 1.0
S3 B:SF41100 3.8 14.8 1.0
N B:TYR751 4.0 12.3 1.0
CA B:CYS750 4.0 12.7 1.0
N B:SER752 4.2 11.9 1.0
CD B:PRO726 4.3 12.1 1.0
C B:CYS750 4.3 12.7 1.0
N B:GLU749 4.6 11.2 1.0
CB B:SER752 4.6 14.1 1.0
C B:GLU749 4.7 13.1 1.0
SG B:CYS747 4.8 13.5 1.0
SG B:CYS725 4.8 14.9 1.0
SG B:CYS753 4.8 17.0 1.0
CA B:GLU749 4.9 11.0 1.0
CA B:TYR751 4.9 12.8 1.0
N B:CYS753 4.9 14.7 1.0
OG B:SER752 4.9 15.1 1.0
CA B:SER752 5.0 12.9 1.0

Iron binding site 4 out of 16 in 2fjb

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Iron binding site 4 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:15.3
occ:1.00
 FE4 B:SF41100 0.0 15.3 1.0
S2 B:SF41100 2.2 13.5 1.0
S3 B:SF41100 2.3 14.8 1.0
S1 B:SF41100 2.3 13.2 1.0
SG B:CYS753 2.4 17.0 1.0
FE1 B:SF41100 2.6 15.2 1.0
FE2 B:SF41100 2.7 14.1 1.0
FE3 B:SF41100 2.7 15.0 1.0
CB B:CYS753 3.4 15.0 1.0
S4 B:SF41100 3.9 13.9 1.0
OG B:SER703 3.9 12.1 1.0
N B:CYS753 3.9 14.7 1.0
CB B:SER703 4.1 10.0 1.0
CA B:CYS753 4.3 14.0 1.0
CG B:MET730 4.6 13.9 1.0
N B:SER752 4.7 11.9 1.0
SG B:CYS747 4.7 13.5 1.0
SG B:CYS750 4.7 13.8 1.0
SD B:MET730 4.7 17.9 1.0
SG B:CYS725 4.8 14.9 1.0
N B:TYR751 4.9 12.3 1.0

Iron binding site 5 out of 16 in 2fjb

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Iron binding site 5 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:17.7
occ:0.70
 FE1 B:SF41110 0.0 17.7 0.7
S2 B:SF41110 2.2 16.5 0.7
S4 B:SF41110 2.2 18.5 0.7
S3 B:SF41110 2.3 17.9 0.7
SG B:CYS710 2.5 23.7 1.0
FE4 B:SF41110 2.6 17.7 0.7
FE3 B:SF41110 2.7 17.8 0.7
FE2 B:SF41110 2.7 17.4 0.4
CB B:CYS710 3.4 25.7 1.0
CA B:CYS710 3.9 27.0 1.0
N B:GLY712 3.9 35.0 1.0
S1 B:SF41110 3.9 18.2 0.7
N B:ASP711 4.1 31.4 1.0
CA B:GLY712 4.2 36.2 1.0
CB B:ALA739 4.2 15.5 1.0
N B:CYS713 4.3 37.4 1.0
C B:CYS710 4.4 28.5 1.0
N B:ALA739 4.5 17.1 1.0
CG1 B:VAL705 4.6 13.6 1.0
C B:GLY712 4.6 37.2 1.0
OD2 B:ASP711 4.7 37.6 1.0
CB B:ALA761 4.9 22.3 1.0
C B:ASP711 4.9 35.0 1.0
SG B:CYS757 4.9 24.7 1.0
SG B:CYS721 5.0 24.1 1.0

Iron binding site 6 out of 16 in 2fjb

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Iron binding site 6 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:17.4
occ:0.40
 FE2 B:SF41110 0.0 17.4 0.4
S3 B:SF41110 2.2 17.9 0.7
S1 B:SF41110 2.3 18.2 0.7
S4 B:SF41110 2.3 18.5 0.7
SG B:CYS713 2.5 39.3 1.0
FE4 B:SF41110 2.6 17.7 0.7
FE3 B:SF41110 2.7 17.8 0.7
FE1 B:SF41110 2.7 17.7 0.7
CB B:CYS713 3.4 38.9 1.0
N B:CYS713 3.5 37.4 1.0
CA B:CYS713 3.7 39.5 1.0
S2 B:SF41110 3.7 16.5 0.7
C B:GLY712 4.2 37.2 1.0
OD2 B:ASP711 4.3 37.6 1.0
CG2 B:THR719 4.5 36.3 1.0
CA B:GLY712 4.7 36.2 1.0
N B:ALA720 4.7 28.4 1.0
N B:GLY712 4.8 35.0 1.0
CD B:PRO758 4.8 27.9 1.0
SG B:CYS757 4.8 24.7 1.0
SG B:CYS721 4.8 24.1 1.0
O B:GLY712 4.9 37.0 1.0

Iron binding site 7 out of 16 in 2fjb

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Iron binding site 7 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:17.8
occ:0.70
 FE3 B:SF41110 0.0 17.8 0.7
S2 B:SF41110 2.2 16.5 0.7
S4 B:SF41110 2.2 18.5 0.7
S1 B:SF41110 2.3 18.2 0.7
SG B:CYS721 2.5 24.1 1.0
FE4 B:SF41110 2.7 17.7 0.7
FE1 B:SF41110 2.7 17.7 0.7
FE2 B:SF41110 2.7 17.4 0.4
CB B:CYS721 3.4 22.8 1.0
CB B:ALA739 3.8 15.5 1.0
S3 B:SF41110 3.9 17.9 0.7
N B:CYS721 4.1 22.9 1.0
CG2 B:THR719 4.2 36.3 1.0
CD1 B:ILE762 4.3 17.9 1.0
CA B:CYS721 4.4 22.9 1.0
SG B:CYS713 4.7 39.3 1.0
SG B:CYS710 4.9 23.7 1.0
SG B:CYS757 4.9 24.7 1.0
CG1 B:ILE762 4.9 16.4 1.0

Iron binding site 8 out of 16 in 2fjb

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Iron binding site 8 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:17.7
occ:0.70
 FE4 B:SF41110 0.0 17.7 0.7
S2 B:SF41110 2.1 16.5 0.7
S3 B:SF41110 2.3 17.9 0.7
S1 B:SF41110 2.3 18.2 0.7
SG B:CYS757 2.5 24.7 1.0
FE2 B:SF41110 2.6 17.4 0.4
FE1 B:SF41110 2.6 17.7 0.7
FE3 B:SF41110 2.7 17.8 0.7
CB B:CYS757 3.5 21.0 1.0
S4 B:SF41110 3.7 18.5 0.7
CA B:CYS757 4.1 22.8 1.0
CB B:ALA761 4.4 22.3 1.0
CD1 B:ILE762 4.4 17.9 1.0
CG1 B:ILE762 4.4 16.4 1.0
CD B:PRO758 4.5 27.9 1.0
C B:CYS757 4.7 23.4 1.0
SG B:CYS713 4.9 39.3 1.0
SG B:CYS710 4.9 23.7 1.0
N B:PRO758 4.9 26.2 1.0
CB B:GLN759 4.9 30.0 1.0
SG B:CYS721 5.0 24.1 1.0
N B:ALA761 5.0 21.3 1.0

Iron binding site 9 out of 16 in 2fjb

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Iron binding site 9 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe3100

b:14.3
occ:1.00
 FE1 D:SF43100 0.0 14.3 1.0
S2 D:SF43100 2.2 13.6 1.0
S4 D:SF43100 2.3 12.7 1.0
S3 D:SF43100 2.3 12.5 1.0
SG D:CYS2753 2.4 14.7 1.0
FE4 D:SF43100 2.7 13.5 1.0
FE3 D:SF43100 2.7 12.6 1.0
FE2 D:SF43100 2.7 13.1 1.0
CB D:CYS2753 3.4 13.9 1.0
OG D:SER2703 3.8 10.8 1.0
S1 D:SF43100 3.9 12.2 1.0
N D:CYS2753 4.0 14.9 1.0
CB D:SER2703 4.0 10.3 1.0
CA D:CYS2753 4.3 13.0 1.0
CG D:MET2730 4.5 13.9 1.0
N D:SER2752 4.7 12.5 1.0
SG D:CYS2747 4.7 11.9 1.0
SG D:CYS2750 4.7 12.2 1.0
SD D:MET2730 4.7 16.2 1.0
SG D:CYS2725 4.8 12.6 1.0
N D:TYR2751 4.8 10.9 1.0

Iron binding site 10 out of 16 in 2fjb

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Iron binding site 10 out of 16 in the Adenosine-5'-Phosphosulfate Reductase Im Complex with Products


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Adenosine-5'-Phosphosulfate Reductase Im Complex with Products within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe3100

b:13.1
occ:1.00
 FE2 D:SF43100 0.0 13.1 1.0
S3 D:SF43100 2.3 12.5 1.0
S1 D:SF43100 2.3 12.2 1.0
S4 D:SF43100 2.3 12.7 1.0
SG D:CYS2750 2.4 12.2 1.0
FE4 D:SF43100 2.7 13.5 1.0
FE3 D:SF43100 2.7 12.6 1.0
FE1 D:SF43100 2.7 14.3 1.0
N D:CYS2750 3.5 8.7 1.0
CB D:CYS2750 3.6 11.1 1.0
S2 D:SF43100 3.8 13.6 1.0
N D:TYR2751 3.9 10.9 1.0
CA D:CYS2750 4.0 9.7 1.0
N D:SER2752 4.2 12.5 1.0
C D:CYS2750 4.3 12.5 1.0
CD D:PRO2726 4.3 12.0 1.0
N D:GLU2749 4.6 9.4 1.0
CB D:SER2752 4.6 13.1 1.0
C D:GLU2749 4.6 9.1 1.0
SG D:CYS2747 4.8 11.9 1.0
SG D:CYS2725 4.8 12.6 1.0
SG D:CYS2753 4.8 14.7 1.0
CA D:TYR2751 4.8 12.7 1.0
CA D:GLU2749 4.9 9.8 1.0
N D:CYS2753 4.9 14.9 1.0
OG D:SER2752 4.9 12.3 1.0
C D:TYR2751 5.0 12.9 1.0
CA D:SER2752 5.0 13.3 1.0

Reference:

A.Schiffer, G.Fritz, P.M.Kroneck, U.Ermler. Reaction Mechanism of the Iron-Sulfur Flavoenzyme Adenosine-5'-Phosphosulfate Reductase Based on the Structural Characterization of Different Enzymatic States Biochemistry V. 45 2960 2006.
ISSN: ISSN 0006-2960
PubMed: 16503650
DOI: 10.1021/BI0521689
Page generated: Sun Dec 13 14:44:10 2020

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