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Iron in PDB 1cje: Adrenodoxin From Bovine

Protein crystallography data

The structure of Adrenodoxin From Bovine, PDB code: 1cje was solved by I.A.Pikuleva, K.Tesh, M.R.Waterman, Y.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.443, 77.025, 59.681, 90.00, 94.83, 90.00
R / Rfree (%) 23.3 / 29.8

Iron Binding Sites:

The binding sites of Iron atom in the Adrenodoxin From Bovine (pdb code 1cje). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Adrenodoxin From Bovine, PDB code: 1cje:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1cje

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Iron binding site 1 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe150

b:49.4
occ:1.00
 FE1 A:FES150 0.0 49.4 1.0
SG A:CYS52 2.2 32.2 1.0
S2 A:FES150 2.3 81.1 1.0
S1 A:FES150 2.3 77.4 1.0
SG A:CYS46 2.3 30.0 1.0
FE2 A:FES150 2.8 47.4 1.0
CB A:CYS46 3.5 31.9 1.0
N A:CYS52 3.6 35.8 1.0
CB A:CYS52 3.6 34.6 1.0
C A:CYS52 3.9 31.6 1.0
CA A:CYS52 3.9 33.7 1.0
N A:CYS46 3.9 30.4 1.0
O A:CYS52 4.0 31.6 1.0
CA A:CYS46 4.1 29.1 1.0
N A:LEU50 4.2 34.1 1.0
N A:GLY48 4.2 38.5 1.0
N A:ALA51 4.2 39.0 1.0
SG A:CYS55 4.3 25.7 1.0
C A:CYS46 4.4 31.6 1.0
N A:SER53 4.4 28.4 1.0
N A:THR49 4.5 38.8 1.0
N A:GLU47 4.5 34.2 1.0
OG1 A:THR54 4.6 25.3 1.0
CA A:LEU50 4.6 36.5 1.0
CA A:GLY48 4.7 37.5 1.0
SG A:CYS92 4.7 32.2 1.0
C A:ALA51 4.7 39.7 1.0
C A:LEU50 4.9 37.0 1.0
O A:CYS46 4.9 29.7 1.0
N A:ALA45 4.9 34.3 1.0
C A:GLY48 5.0 38.0 1.0

Iron binding site 2 out of 8 in 1cje

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Iron binding site 2 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe150

b:47.4
occ:1.00
 FE2 A:FES150 0.0 47.4 1.0
S2 A:FES150 2.2 81.1 1.0
S1 A:FES150 2.3 77.4 1.0
SG A:CYS55 2.3 25.7 1.0
SG A:CYS92 2.3 32.2 1.0
FE1 A:FES150 2.8 49.4 1.0
CB A:CYS92 3.1 28.6 1.0
CB A:CYS55 3.4 24.9 1.0
CA A:GLY48 4.1 37.5 1.0
N A:CYS92 4.2 32.3 1.0
N A:GLY48 4.2 38.5 1.0
CA A:CYS92 4.2 31.7 1.0
SG A:CYS46 4.5 30.0 1.0
SG A:CYS52 4.5 32.2 1.0
CA A:CYS55 4.7 25.1 1.0
N A:CYS55 4.7 24.4 1.0
CB A:LEU90 4.7 25.4 1.0
C A:GLY48 4.8 38.0 1.0
N A:LEU50 4.8 34.1 1.0
CD2 A:LEU30 4.9 31.6 1.0

Iron binding site 3 out of 8 in 1cje

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Iron binding site 3 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe350

b:53.0
occ:1.00
 FE1 B:FES350 0.0 53.0 1.0
SG B:CYS46 2.1 23.6 1.0
SG B:CYS52 2.2 36.6 1.0
S1 B:FES350 2.2 75.9 1.0
S2 B:FES350 2.3 81.4 1.0
FE2 B:FES350 2.7 51.4 1.0
CB B:CYS46 3.4 20.7 1.0
CB B:CYS52 3.5 35.0 1.0
N B:CYS46 3.8 29.3 1.0
N B:CYS52 3.9 36.9 1.0
CA B:CYS46 4.0 26.3 1.0
O B:CYS52 4.0 39.0 1.0
CA B:CYS52 4.0 38.4 1.0
C B:CYS52 4.0 38.1 1.0
N B:GLY48 4.2 29.8 1.0
C B:CYS46 4.3 25.5 1.0
N B:GLU47 4.3 25.9 1.0
N B:ALA51 4.3 32.6 1.0
OG1 B:THR54 4.4 24.2 1.0
N B:LEU50 4.5 34.1 1.0
SG B:CYS55 4.5 40.6 1.0
C B:ALA51 4.6 36.9 1.0
N B:THR49 4.6 33.3 1.0
CA B:GLY48 4.6 29.7 1.0
N B:SER53 4.7 39.7 1.0
SG B:CYS92 4.7 35.2 1.0
C B:GLY44 4.7 36.0 1.0
CA B:LEU50 4.8 30.8 1.0
N B:ALA45 4.9 36.4 1.0
C B:ALA45 4.9 36.9 1.0
O B:CYS46 4.9 26.9 1.0
CB B:CYS55 4.9 28.4 1.0
O B:GLY44 4.9 37.0 1.0
C B:LEU50 5.0 31.8 1.0

Iron binding site 4 out of 8 in 1cje

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Iron binding site 4 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe350

b:51.4
occ:1.00
 FE2 B:FES350 0.0 51.4 1.0
S1 B:FES350 2.2 75.9 1.0
S2 B:FES350 2.3 81.4 1.0
SG B:CYS92 2.3 35.2 1.0
SG B:CYS55 2.4 40.6 1.0
FE1 B:FES350 2.7 53.0 1.0
CB B:CYS92 3.1 37.8 1.0
CB B:CYS55 3.2 28.4 1.0
CA B:GLY48 4.0 29.7 1.0
N B:CYS92 4.2 37.6 1.0
N B:GLY48 4.2 29.8 1.0
CA B:CYS92 4.2 36.0 1.0
SG B:CYS46 4.3 23.6 1.0
SG B:CYS52 4.4 36.6 1.0
CA B:CYS55 4.5 27.9 1.0
N B:CYS55 4.6 28.8 1.0
CD1 B:LEU90 4.6 44.6 1.0
CB B:LEU90 4.6 40.9 1.0
CD2 B:LEU30 4.8 29.7 1.0
C B:GLY48 4.8 30.5 1.0
N B:LEU50 4.9 34.1 1.0

Iron binding site 5 out of 8 in 1cje

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Iron binding site 5 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe550

b:51.2
occ:1.00
 FE1 C:FES550 0.0 51.2 1.0
SG C:CYS46 2.2 36.1 1.0
S1 C:FES550 2.3 81.4 1.0
S2 C:FES550 2.3 81.2 1.0
SG C:CYS52 2.4 29.4 1.0
FE2 C:FES550 2.7 52.0 1.0
CB C:CYS46 3.4 35.9 1.0
N C:CYS46 3.6 38.7 1.0
CB C:CYS52 3.7 23.1 1.0
N C:CYS52 3.9 22.6 1.0
CA C:CYS46 3.9 36.1 1.0
N C:GLY48 4.1 36.8 1.0
N C:GLU47 4.1 41.6 1.0
CA C:CYS52 4.1 24.2 1.0
C C:CYS46 4.2 39.3 1.0
C C:CYS52 4.3 26.4 1.0
O C:CYS52 4.3 27.9 1.0
SG C:CYS55 4.3 34.9 1.0
N C:ALA51 4.4 33.0 1.0
N C:THR49 4.5 37.2 1.0
N C:ALA45 4.5 40.5 1.0
N C:LEU50 4.5 39.6 1.0
C C:GLY44 4.6 39.9 1.0
CA C:GLY48 4.6 36.4 1.0
OG1 C:THR54 4.6 15.4 1.0
SG C:CYS92 4.7 30.8 1.0
CA C:GLY44 4.7 38.3 1.0
C C:ALA45 4.7 41.4 1.0
CB C:CYS55 4.7 29.6 1.0
C C:ALA51 4.8 31.7 1.0
CA C:LEU50 4.9 38.7 1.0
N C:SER53 5.0 27.4 1.0
C C:GLU47 5.0 40.4 1.0

Iron binding site 6 out of 8 in 1cje

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Iron binding site 6 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe550

b:52.0
occ:1.00
 FE2 C:FES550 0.0 52.0 1.0
S2 C:FES550 2.3 81.2 1.0
S1 C:FES550 2.3 81.4 1.0
SG C:CYS92 2.4 30.8 1.0
SG C:CYS55 2.4 34.9 1.0
FE1 C:FES550 2.7 51.2 1.0
CB C:CYS55 3.2 29.6 1.0
CB C:CYS92 3.3 30.8 1.0
CA C:GLY48 4.2 36.4 1.0
N C:CYS92 4.2 29.0 1.0
N C:GLY48 4.3 36.8 1.0
CA C:CYS92 4.4 32.1 1.0
SG C:CYS46 4.4 36.1 1.0
CA C:CYS55 4.5 31.3 1.0
SG C:CYS52 4.6 29.4 1.0
CB C:LEU90 4.6 25.4 1.0
N C:CYS55 4.7 28.6 1.0
N C:LEU50 4.7 39.6 1.0
CD1 C:LEU30 4.7 24.6 1.0
C C:GLY48 4.9 35.4 1.0
CA C:LEU50 4.9 38.7 1.0
N C:THR49 5.0 37.2 1.0
CD1 C:LEU90 5.0 24.7 1.0

Iron binding site 7 out of 8 in 1cje

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Iron binding site 7 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe750

b:69.9
occ:1.00
 FE1 D:FES750 0.0 69.9 1.0
SG D:CYS52 2.2 56.4 1.0
S1 D:FES750 2.3 81.4 1.0
S2 D:FES750 2.3 81.4 1.0
SG D:CYS46 2.6 62.4 1.0
FE2 D:FES750 2.8 70.3 1.0
N D:CYS46 3.8 60.8 1.0
CB D:CYS46 3.9 62.1 1.0
CB D:CYS52 3.9 60.0 1.0
OG1 D:THR54 4.1 52.5 1.0
N D:ALA45 4.2 56.1 1.0
N D:CYS52 4.2 62.3 1.0
CA D:GLY44 4.2 51.9 1.0
SG D:CYS55 4.3 52.1 1.0
CA D:CYS46 4.3 63.4 1.0
N D:GLY48 4.3 73.5 1.0
C D:GLY44 4.4 53.3 1.0
CA D:CYS52 4.4 62.2 1.0
C D:CYS52 4.4 61.7 1.0
N D:SER53 4.5 59.2 1.0
CB D:CYS55 4.5 49.4 1.0
C D:CYS46 4.6 65.5 1.0
N D:THR54 4.6 53.8 1.0
N D:CYS55 4.6 49.0 1.0
N D:GLU47 4.7 68.6 1.0
CA D:GLY48 4.7 74.0 1.0
C D:ALA45 4.8 60.2 1.0
O D:CYS52 4.8 64.0 1.0
N D:ALA51 4.9 67.2 1.0
N D:THR49 4.9 75.0 1.0
CA D:ALA45 4.9 58.4 1.0
SG D:CYS92 5.0 48.1 1.0

Iron binding site 8 out of 8 in 1cje

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Iron binding site 8 out of 8 in the Adrenodoxin From Bovine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Adrenodoxin From Bovine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe750

b:70.3
occ:1.00
 FE2 D:FES750 0.0 70.3 1.0
S2 D:FES750 2.3 81.4 1.0
S1 D:FES750 2.3 81.4 1.0
SG D:CYS92 2.5 48.1 1.0
SG D:CYS55 2.7 52.1 1.0
FE1 D:FES750 2.8 69.9 1.0
CB D:CYS92 3.7 56.1 1.0
CB D:CYS55 3.9 49.4 1.0
SG D:CYS46 4.1 62.4 1.0
N D:LEU50 4.1 73.5 1.0
CA D:LEU50 4.3 70.6 1.0
CA D:GLY48 4.3 74.0 1.0
CD1 D:LEU90 4.4 65.8 1.0
CB D:LEU90 4.4 64.8 1.0
N D:THR49 4.6 75.0 1.0
SG D:CYS52 4.7 56.4 1.0
N D:CYS92 4.7 60.0 1.0
CD1 D:LEU50 4.7 69.5 1.0
N D:GLY48 4.7 73.5 1.0
CA D:CYS92 4.8 59.1 1.0
CG D:LEU90 4.8 66.6 1.0
CG D:LEU50 4.8 68.7 1.0
CD2 D:LEU90 4.8 67.0 1.0
C D:GLY48 4.9 74.8 1.0

Reference:

I.A.Pikuleva, K.Tesh, M.R.Waterman, Y.Kim. The Tertiary Structure of Full-Length Bovine Adrenodoxin Suggests Functional Dimers. Arch.Biochem.Biophys. V. 373 44 2000.
ISSN: ISSN 0003-9861
PubMed: 10620322
DOI: 10.1006/ABBI.1999.1536
Page generated: Sun Dec 13 14:09:09 2020

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