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Iron in PDB 3aes: Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark

Protein crystallography data

The structure of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark, PDB code: 3aes was solved by N.Muraki, J.Nomata, T.Shiba, Y.Fujita, G.Kurisu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.75 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.302, 80.920, 176.235, 90.00, 100.87, 90.00
R / Rfree (%) 20.8 / 24.8

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark (pdb code 3aes). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark, PDB code: 3aes:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 3aes

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Iron binding site 1 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe425

b:25.4
occ:1.00
FE1 A:SF4425 0.0 25.4 1.0
S3 A:SF4425 2.3 26.2 1.0
S2 A:SF4425 2.3 25.5 1.0
SG A:CYS26 2.3 30.7 1.0
S4 A:SF4425 2.3 25.2 1.0
FE4 A:SF4425 2.6 24.9 1.0
FE3 A:SF4425 2.7 23.1 1.0
FE2 A:SF4425 2.8 25.9 1.0
CB A:CYS26 3.3 33.3 1.0
S1 A:SF4425 3.9 26.3 1.0
CD2 A:LEU28 4.0 33.4 1.0
N A:GLY145 4.2 31.7 1.0
O B:HOH526 4.5 29.6 1.0
OD1 B:ASP36 4.5 27.6 1.0
CD2 A:LEU54 4.7 29.5 1.0
SG A:CYS112 4.7 29.6 1.0
CA A:CYS26 4.7 33.2 1.0
SG A:CYS51 4.8 30.2 1.0
CA A:GLY145 4.8 31.8 1.0
CB A:LEU28 4.9 33.8 1.0
O A:GLY143 4.9 31.7 1.0
CG A:LEU28 4.9 33.5 1.0

Iron binding site 2 out of 8 in 3aes

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Iron binding site 2 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe425

b:25.9
occ:1.00
FE2 A:SF4425 0.0 25.9 1.0
OD1 B:ASP36 2.1 27.6 1.0
S4 A:SF4425 2.3 25.2 1.0
S1 A:SF4425 2.3 26.3 1.0
S3 A:SF4425 2.3 26.2 1.0
FE4 A:SF4425 2.7 24.9 1.0
FE1 A:SF4425 2.8 25.4 1.0
FE3 A:SF4425 2.8 23.1 1.0
CG B:ASP36 3.1 32.2 1.0
OD2 B:ASP36 3.6 32.0 1.0
O B:HOH527 3.7 29.4 1.0
CG2 A:THR50 3.7 28.4 1.0
S2 A:SF4425 4.0 25.5 1.0
CB B:ASP36 4.3 32.9 1.0
CG B:PRO33 4.3 32.8 1.0
CA B:ASP36 4.4 33.3 1.0
N B:ASP36 4.4 33.4 1.0
C B:GLY35 4.6 33.6 1.0
SG A:CYS112 4.7 29.6 1.0
CB A:THR50 4.7 28.6 1.0
SG A:CYS26 4.8 30.7 1.0
O B:GLY35 4.8 33.4 1.0
SG A:CYS51 4.9 30.2 1.0
CE1 B:TYR38 4.9 33.0 1.0

Iron binding site 3 out of 8 in 3aes

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Iron binding site 3 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe425

b:23.1
occ:1.00
FE3 A:SF4425 0.0 23.1 1.0
SG A:CYS51 2.3 30.2 1.0
S2 A:SF4425 2.3 25.5 1.0
S4 A:SF4425 2.3 25.2 1.0
S1 A:SF4425 2.3 26.3 1.0
FE4 A:SF4425 2.7 24.9 1.0
FE1 A:SF4425 2.7 25.4 1.0
FE2 A:SF4425 2.8 25.9 1.0
CB A:CYS51 3.5 29.5 1.0
CA A:CYS51 3.7 29.2 1.0
S3 A:SF4425 3.9 26.2 1.0
N A:CYS51 3.9 29.0 1.0
CD2 A:LEU28 4.0 33.4 1.0
CD A:PRO113 4.3 30.4 1.0
CB A:SER111 4.3 29.1 1.0
CG2 A:THR50 4.6 28.4 1.0
N A:CYS112 4.7 29.1 1.0
C A:THR50 4.7 28.7 1.0
OD1 B:ASP36 4.7 27.6 1.0
SG A:CYS26 4.8 30.7 1.0
CB A:THR50 4.8 28.6 1.0
SG A:CYS112 4.9 29.6 1.0
CG A:PRO113 4.9 30.8 1.0
O B:HOH527 5.0 29.4 1.0

Iron binding site 4 out of 8 in 3aes

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Iron binding site 4 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe425

b:24.9
occ:1.00
FE4 A:SF4425 0.0 24.9 1.0
S1 A:SF4425 2.3 26.3 1.0
S3 A:SF4425 2.3 26.2 1.0
S2 A:SF4425 2.3 25.5 1.0
SG A:CYS112 2.3 29.6 1.0
FE1 A:SF4425 2.6 25.4 1.0
FE3 A:SF4425 2.7 23.1 1.0
FE2 A:SF4425 2.7 25.9 1.0
CB A:CYS112 3.3 29.5 1.0
N A:GLY145 3.7 31.7 1.0
N A:CYS112 3.7 29.1 1.0
S4 A:SF4425 3.8 25.2 1.0
CA A:CYS112 4.1 29.7 1.0
CG B:PRO33 4.1 32.8 1.0
CA A:GLY145 4.3 31.8 1.0
CD A:PRO113 4.4 30.4 1.0
O B:HOH527 4.5 29.4 1.0
OD1 B:ASP36 4.5 27.6 1.0
C A:SER144 4.6 31.6 1.0
CA A:SER144 4.7 31.6 1.0
OG1 B:THR96 4.7 33.7 1.0
CB B:PRO33 4.7 32.8 1.0
SG A:CYS51 4.7 30.2 1.0
SG A:CYS26 4.7 30.7 1.0
C A:SER111 4.8 29.2 1.0
CB A:CYS26 5.0 33.3 1.0
O B:GLN34 5.0 35.1 1.0

Iron binding site 5 out of 8 in 3aes

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Iron binding site 5 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe425

b:25.4
occ:1.00
FE1 C:SF4425 0.0 25.4 1.0
S3 C:SF4425 2.3 26.9 1.0
S4 C:SF4425 2.3 23.7 1.0
S2 C:SF4425 2.3 25.9 1.0
SG C:CYS26 2.3 30.6 1.0
FE4 C:SF4425 2.6 24.8 1.0
FE2 C:SF4425 2.7 27.1 1.0
FE3 C:SF4425 2.8 25.6 1.0
CB C:CYS26 3.3 31.8 1.0
S1 C:SF4425 3.9 24.1 1.0
CD2 C:LEU28 3.9 32.0 1.0
N C:GLY145 4.1 32.3 1.0
O C:HOH427 4.2 31.7 1.0
CD2 C:LEU54 4.3 26.4 1.0
OD1 D:ASP36 4.3 25.2 1.0
SG C:CYS112 4.6 31.4 1.0
CA C:GLY145 4.7 33.1 1.0
CA C:CYS26 4.7 32.1 1.0
CB C:LEU28 4.9 32.3 1.0
C C:SER144 4.9 31.9 1.0
CG C:LEU28 4.9 32.0 1.0
SG C:CYS51 4.9 26.9 1.0
O C:GLY143 4.9 30.3 1.0
O D:GLY35 5.0 33.5 1.0

Iron binding site 6 out of 8 in 3aes

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Iron binding site 6 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe425

b:27.1
occ:1.00
FE2 C:SF4425 0.0 27.1 1.0
OD1 D:ASP36 1.9 25.2 1.0
S4 C:SF4425 2.3 23.7 1.0
S3 C:SF4425 2.3 26.9 1.0
S1 C:SF4425 2.3 24.1 1.0
FE4 C:SF4425 2.7 24.8 1.0
FE1 C:SF4425 2.7 25.4 1.0
FE3 C:SF4425 2.8 25.6 1.0
CG D:ASP36 3.0 31.2 1.0
OD2 D:ASP36 3.5 29.2 1.0
S2 C:SF4425 3.9 25.9 1.0
O D:HOH529 4.0 28.4 1.0
CG2 C:THR50 4.0 25.1 1.0
CB D:ASP36 4.3 32.3 1.0
CA D:ASP36 4.4 33.2 1.0
N D:ASP36 4.4 33.4 1.0
C D:GLY35 4.6 33.6 1.0
CG D:PRO33 4.6 31.9 1.0
O D:GLY35 4.7 33.5 1.0
SG C:CYS112 4.7 31.4 1.0
SG C:CYS26 4.8 30.6 1.0
CB C:THR50 4.8 25.5 1.0
SG C:CYS51 4.9 26.9 1.0

Iron binding site 7 out of 8 in 3aes

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Iron binding site 7 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe425

b:25.6
occ:1.00
FE3 C:SF4425 0.0 25.6 1.0
S2 C:SF4425 2.3 25.9 1.0
S1 C:SF4425 2.3 24.1 1.0
S4 C:SF4425 2.3 23.7 1.0
SG C:CYS51 2.3 26.9 1.0
FE4 C:SF4425 2.7 24.8 1.0
FE1 C:SF4425 2.8 25.4 1.0
FE2 C:SF4425 2.8 27.1 1.0
CB C:CYS51 3.5 26.6 1.0
CA C:CYS51 3.8 26.6 1.0
CD2 C:LEU28 3.8 32.0 1.0
S3 C:SF4425 4.0 26.9 1.0
N C:CYS51 4.0 26.3 1.0
CD C:PRO113 4.3 32.0 1.0
CB C:SER111 4.3 28.3 1.0
N C:CYS112 4.6 29.7 1.0
OD1 D:ASP36 4.6 25.2 1.0
SG C:CYS112 4.8 31.4 1.0
C C:THR50 4.8 26.1 1.0
SG C:CYS26 4.9 30.6 1.0
CG C:PRO113 4.9 31.9 1.0
CG2 C:THR50 5.0 25.1 1.0

Iron binding site 8 out of 8 in 3aes

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Iron binding site 8 out of 8 in the Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Light-Independent Protochlorophyllide Reductase Catalyzing A Key Reduction For Greening in the Dark within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe425

b:24.8
occ:1.00
FE4 C:SF4425 0.0 24.8 1.0
SG C:CYS112 2.2 31.4 1.0
S1 C:SF4425 2.3 24.1 1.0
S3 C:SF4425 2.3 26.9 1.0
S2 C:SF4425 2.3 25.9 1.0
FE1 C:SF4425 2.6 25.4 1.0
FE2 C:SF4425 2.7 27.1 1.0
FE3 C:SF4425 2.7 25.6 1.0
CB C:CYS112 3.2 30.5 1.0
N C:GLY145 3.6 32.3 1.0
N C:CYS112 3.7 29.7 1.0
S4 C:SF4425 3.8 23.7 1.0
CA C:CYS112 4.1 30.6 1.0
CG D:PRO33 4.1 31.9 1.0
CA C:GLY145 4.2 33.1 1.0
OD1 D:ASP36 4.3 25.2 1.0
CD C:PRO113 4.4 32.0 1.0
C C:SER144 4.6 31.9 1.0
CA C:SER144 4.7 31.5 1.0
CG2 D:THR96 4.7 38.0 1.0
SG C:CYS26 4.7 30.6 1.0
SG C:CYS51 4.8 26.9 1.0
O D:HOH529 4.9 28.4 1.0
C C:SER111 4.9 29.0 1.0
CB C:SER144 4.9 31.3 1.0
CB D:PRO33 4.9 31.8 1.0
CB C:CYS26 4.9 31.8 1.0

Reference:

N.Muraki, J.Nomata, K.Ebata, T.Mizoguchi, T.Shiba, H.Tamiaki, G.Kurisu, Y.Fujita. X-Ray Crystal Structure of the Light-Independent Protochlorophyllide Reductase Nature V. 465 110 2010.
ISSN: ISSN 0028-0836
PubMed: 20400946
DOI: 10.1038/NATURE08950
Page generated: Sun Aug 4 07:07:39 2024

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