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Iron in PDB 1jnr: Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution

Enzymatic activity of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution

All present enzymatic activity of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution:
1.8.99.2;

Protein crystallography data

The structure of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution, PDB code: 1jnr was solved by G.Fritz, A.Roth, A.Schiffer, T.Buechert, G.Bourenkov, H.D.Bartunik, H.Huber, K.O.Stetter, P.M.H.Kroneck, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.59 / 1.60
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 (%) 18 / 20.2

Iron Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iron atom in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution (pdb code 1jnr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution, PDB code: 1jnr:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in 1jnr

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Iron binding site 1 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:10.4
occ:1.00
 FE1 B:SF41100 0.0 10.4 1.0
S2 B:SF41100 2.3 9.8 1.0
S3 B:SF41100 2.3 10.2 1.0
S4 B:SF41100 2.3 9.5 1.0
SG B:CYS25 2.4 11.0 1.0
FE3 B:SF41100 2.7 10.5 1.0
FE4 B:SF41100 2.7 10.4 1.0
FE2 B:SF41100 2.7 9.6 1.0
CB B:CYS25 3.4 10.7 1.0
S1 B:SF41100 3.9 9.8 1.0
CA B:CYS25 3.9 11.4 1.0
CD B:PRO26 4.2 11.6 1.0
CD1 B:LEU29 4.2 10.0 1.0
CG B:LEU29 4.4 9.0 1.0
CB B:LEU29 4.4 11.6 1.0
N B:PRO26 4.5 11.3 1.0
C B:CYS25 4.5 10.2 1.0
SG B:CYS50 4.7 10.8 1.0
CG B:MET30 4.7 12.1 1.0
N B:ASN27 4.8 9.5 1.0
SG B:CYS53 4.9 11.6 1.0
SG B:CYS47 5.0 10.6 1.0

Iron binding site 2 out of 16 in 1jnr

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Iron binding site 2 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:9.6
occ:1.00
 FE2 B:SF41100 0.0 9.6 1.0
S3 B:SF41100 2.2 10.2 1.0
S4 B:SF41100 2.3 9.5 1.0
S1 B:SF41100 2.3 9.8 1.0
SG B:CYS47 2.3 10.6 1.0
FE4 B:SF41100 2.7 10.4 1.0
FE3 B:SF41100 2.7 10.5 1.0
FE1 B:SF41100 2.7 10.4 1.0
CB B:CYS47 3.5 7.9 1.0
S2 B:SF41100 3.8 9.8 1.0
CA B:CYS47 3.8 8.0 1.0
N B:GLU49 4.0 8.1 1.0
N B:TRP48 4.1 8.6 1.0
CD1 B:LEU29 4.1 10.0 1.0
OG B:SER3 4.3 10.3 1.0
C B:CYS47 4.3 8.6 1.0
ND2 B:ASN41 4.3 10.8 1.0
CB B:SER3 4.5 9.5 1.0
CA B:GLU49 4.5 9.2 1.0
N B:CYS50 4.7 9.4 1.0
N B:SER3 4.8 8.9 1.0
SG B:CYS53 4.8 11.6 1.0
SG B:CYS25 4.9 11.0 1.0
SG B:CYS50 5.0 10.8 1.0

Iron binding site 3 out of 16 in 1jnr

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Iron binding site 3 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:10.5
occ:1.00
 FE3 B:SF41100 0.0 10.5 1.0
S2 B:SF41100 2.2 9.8 1.0
S4 B:SF41100 2.2 9.5 1.0
S1 B:SF41100 2.3 9.8 1.0
SG B:CYS50 2.4 10.8 1.0
FE1 B:SF41100 2.7 10.4 1.0
FE4 B:SF41100 2.7 10.4 1.0
FE2 B:SF41100 2.7 9.6 1.0
N B:CYS50 3.6 9.4 1.0
CB B:CYS50 3.6 9.1 1.0
S3 B:SF41100 3.8 10.2 1.0
N B:TYR51 4.0 10.0 1.0
CA B:CYS50 4.0 10.5 1.0
N B:SER52 4.2 9.6 1.0
C B:CYS50 4.3 10.5 1.0
CD B:PRO26 4.3 11.6 1.0
CB B:SER52 4.6 11.1 1.0
N B:GLU49 4.6 8.1 1.0
C B:GLU49 4.7 9.4 1.0
SG B:CYS47 4.7 10.6 1.0
SG B:CYS53 4.8 11.6 1.0
SG B:CYS25 4.8 11.0 1.0
CA B:TYR51 4.8 9.6 1.0
N B:CYS53 4.9 11.6 1.0
CA B:GLU49 4.9 9.2 1.0
OG B:SER52 4.9 11.2 1.0
CA B:SER52 5.0 10.8 1.0
C B:TYR51 5.0 9.9 1.0
N B:TRP48 5.0 8.6 1.0

Iron binding site 4 out of 16 in 1jnr

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Iron binding site 4 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1100

b:10.4
occ:1.00
 FE4 B:SF41100 0.0 10.4 1.0
S2 B:SF41100 2.1 9.8 1.0
S3 B:SF41100 2.3 10.2 1.0
S1 B:SF41100 2.3 9.8 1.0
SG B:CYS53 2.4 11.6 1.0
FE3 B:SF41100 2.7 10.5 1.0
FE1 B:SF41100 2.7 10.4 1.0
FE2 B:SF41100 2.7 9.6 1.0
CB B:CYS53 3.3 9.3 1.0
S4 B:SF41100 3.8 9.5 1.0
N B:CYS53 3.9 11.6 1.0
OG B:SER3 4.0 10.3 1.0
CB B:SER3 4.0 9.5 1.0
CA B:CYS53 4.2 11.2 1.0
CG B:MET30 4.6 12.1 1.0
N B:SER52 4.7 9.6 1.0
SG B:CYS47 4.7 10.6 1.0
SG B:CYS50 4.7 10.8 1.0
SD B:MET30 4.7 12.4 1.0
SG B:CYS25 4.7 11.0 1.0
N B:TYR51 4.9 10.0 1.0

Iron binding site 5 out of 16 in 1jnr

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Iron binding site 5 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:19.7
occ:1.00
 FE1 B:SF41110 0.0 19.7 1.0
S2 B:SF41110 2.2 18.1 1.0
S4 B:SF41110 2.3 20.7 1.0
S3 B:SF41110 2.3 19.3 1.0
SG B:CYS10 2.4 18.4 1.0
FE4 B:SF41110 2.7 19.6 1.0
FE3 B:SF41110 2.7 20.7 1.0
FE2 B:SF41110 2.7 25.5 1.0
CB B:CYS10 3.4 20.0 1.0
N B:GLY12 3.9 31.4 1.0
CA B:CYS10 3.9 20.7 1.0
S1 B:SF41110 3.9 19.6 1.0
N B:ASP11 4.1 25.6 1.0
CA B:GLY12 4.2 34.1 1.0
CB B:ALA39 4.2 15.7 1.0
N B:CYS13 4.3 38.1 1.0
C B:CYS10 4.4 23.4 1.0
N B:ALA39 4.5 18.6 1.0
CG1 B:VAL5 4.5 11.8 1.0
C B:GLY12 4.6 36.0 1.0
OD2 B:ASP11 4.6 32.8 1.0
SG B:CYS57 4.9 18.8 1.0
C B:ASP11 4.9 30.3 1.0
CB B:ALA61 4.9 17.6 1.0
SG B:CYS21 4.9 17.5 1.0

Iron binding site 6 out of 16 in 1jnr

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Iron binding site 6 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:25.5
occ:1.00
 FE2 B:SF41110 0.0 25.5 1.0
S3 B:SF41110 2.2 19.3 1.0
S4 B:SF41110 2.3 20.7 1.0
S1 B:SF41110 2.3 19.6 1.0
SG B:CYS13 2.6 38.8 1.0
FE4 B:SF41110 2.6 19.6 1.0
FE3 B:SF41110 2.7 20.7 1.0
FE1 B:SF41110 2.7 19.7 1.0
CB B:CYS13 3.4 40.3 1.0
N B:CYS13 3.5 38.1 1.0
CA B:CYS13 3.7 41.3 1.0
S2 B:SF41110 3.7 18.1 1.0
C B:GLY12 4.2 36.0 1.0
OD2 B:ASP11 4.2 32.8 1.0
CG2 B:THR19 4.6 30.1 1.0
CA B:GLY12 4.6 34.1 1.0
CD B:PRO58 4.7 21.7 1.0
N B:GLY12 4.7 31.4 1.0
N B:ALA20 4.7 24.0 1.0
SG B:CYS57 4.8 18.8 1.0
SG B:CYS21 4.8 17.5 1.0
O B:GLY12 4.8 35.4 1.0
CG B:PRO58 4.9 24.2 1.0
SG B:CYS10 4.9 18.4 1.0
CB B:ALA20 5.0 21.3 1.0

Iron binding site 7 out of 16 in 1jnr

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Iron binding site 7 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:20.7
occ:1.00
 FE3 B:SF41110 0.0 20.7 1.0
S4 B:SF41110 2.2 20.7 1.0
S2 B:SF41110 2.2 18.1 1.0
S1 B:SF41110 2.3 19.6 1.0
SG B:CYS21 2.4 17.5 1.0
FE2 B:SF41110 2.7 25.5 1.0
FE1 B:SF41110 2.7 19.7 1.0
FE4 B:SF41110 2.7 19.6 1.0
CB B:CYS21 3.4 17.4 1.0
CB B:ALA39 3.7 15.7 1.0
S3 B:SF41110 3.9 19.3 1.0
N B:CYS21 4.0 18.5 1.0
CG2 B:THR19 4.1 30.1 1.0
CD1 B:ILE62 4.3 15.3 1.0
CA B:CYS21 4.4 17.5 1.0
SG B:CYS13 4.7 38.8 1.0
SG B:CYS10 4.8 18.4 1.0
CG1 B:ILE62 4.9 13.2 1.0
SG B:CYS57 4.9 18.8 1.0

Iron binding site 8 out of 16 in 1jnr

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Iron binding site 8 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1110

b:19.6
occ:1.00
 FE4 B:SF41110 0.0 19.6 1.0
S2 B:SF41110 2.1 18.1 1.0
S3 B:SF41110 2.2 19.3 1.0
S1 B:SF41110 2.3 19.6 1.0
SG B:CYS57 2.5 18.8 1.0
FE2 B:SF41110 2.6 25.5 1.0
FE1 B:SF41110 2.7 19.7 1.0
FE3 B:SF41110 2.7 20.7 1.0
CB B:CYS57 3.4 17.8 1.0
S4 B:SF41110 3.8 20.7 1.0
CA B:CYS57 4.1 18.4 1.0
CD1 B:ILE62 4.4 15.3 1.0
CB B:ALA61 4.4 17.6 1.0
CG1 B:ILE62 4.4 13.2 1.0
CD B:PRO58 4.5 21.7 1.0
C B:CYS57 4.7 19.3 1.0
SG B:CYS10 4.9 18.4 1.0
N B:PRO58 4.9 21.5 1.0
SG B:CYS21 4.9 17.5 1.0
SG B:CYS13 4.9 38.8 1.0
CB B:GLN59 4.9 23.7 1.0
N B:GLN59 5.0 22.2 1.0
N B:ALA61 5.0 16.9 1.0

Iron binding site 9 out of 16 in 1jnr

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Iron binding site 9 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe3100

b:9.9
occ:1.00
 FE1 D:SF43100 0.0 9.9 1.0
S2 D:SF43100 2.2 8.9 1.0
S3 D:SF43100 2.3 9.8 1.0
S4 D:SF43100 2.3 9.7 1.0
SG D:CYS53 2.4 10.6 1.0
FE4 D:SF43100 2.7 9.7 1.0
FE3 D:SF43100 2.7 9.4 1.0
FE2 D:SF43100 2.7 10.0 1.0
CB D:CYS53 3.4 9.9 1.0
S1 D:SF43100 3.9 8.7 1.0
OG D:SER3 3.9 10.4 1.0
N D:CYS53 3.9 10.7 1.0
CB D:SER3 4.0 9.6 1.0
CA D:CYS53 4.3 9.9 1.0
CG D:MET30 4.5 11.3 1.0
SD D:MET30 4.7 11.1 1.0
N D:SER52 4.7 8.4 1.0
SG D:CYS47 4.7 9.4 1.0
SG D:CYS50 4.7 8.9 1.0
SG D:CYS25 4.7 9.5 1.0
N D:TYR51 4.9 9.6 1.0

Iron binding site 10 out of 16 in 1jnr

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Iron binding site 10 out of 16 in the Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6 Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe3100

b:10.0
occ:1.00
 FE2 D:SF43100 0.0 10.0 1.0
S3 D:SF43100 2.2 9.8 1.0
S1 D:SF43100 2.3 8.7 1.0
S4 D:SF43100 2.3 9.7 1.0
SG D:CYS50 2.4 8.9 1.0
FE4 D:SF43100 2.7 9.7 1.0
FE1 D:SF43100 2.7 9.9 1.0
FE3 D:SF43100 2.7 9.4 1.0
CB D:CYS50 3.5 8.7 1.0
N D:CYS50 3.6 8.7 1.0
S2 D:SF43100 3.8 8.9 1.0
N D:TYR51 3.9 9.6 1.0
CA D:CYS50 4.0 8.9 1.0
N D:SER52 4.2 8.4 1.0
C D:CYS50 4.2 9.5 1.0
CD D:PRO26 4.3 9.9 1.0
CB D:SER52 4.6 9.7 1.0
N D:GLU49 4.6 8.4 1.0
C D:GLU49 4.7 8.8 1.0
SG D:CYS47 4.7 9.4 1.0
SG D:CYS25 4.8 9.5 1.0
SG D:CYS53 4.8 10.6 1.0
CA D:TYR51 4.8 9.2 1.0
N D:CYS53 4.9 10.7 1.0
CA D:GLU49 4.9 7.7 1.0
OG D:SER52 4.9 9.8 1.0
CA D:SER52 5.0 9.7 1.0
C D:TYR51 5.0 9.6 1.0

Reference:

G.Fritz, A.Roth, A.Schiffer, T.Buchert, G.Bourenkov, H.D.Bartunik, H.Huber, K.O.Stetter, P.M.Kroneck, U.Ermler. Structure of Adenylylsulfate Reductase From the Hyperthermophilic Archaeoglobus Fulgidus at 1.6-A Resolution Proc.Natl.Acad.Sci.Usa V. 99 1836 2002.
ISSN: ISSN 0027-8424
PubMed: 11842205
DOI: 10.1073/PNAS.042664399
Page generated: Wed Jul 16 16:36:16 2025

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