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Iron in PDB 9he2: Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol

Enzymatic activity of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol

All present enzymatic activity of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol:
4.4.1.28;

Protein crystallography data

The structure of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol, PDB code: 9he2 was solved by S.Gervason, L.Pecqueur, B.Golinelli-Pimpaneau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.90 / 3.74
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 74.632, 74.632, 251.059, 90, 90, 120
R / Rfree (%) 21.7 / 26.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol (pdb code 9he2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol, PDB code: 9he2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 9he2

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Iron binding site 1 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:170.9
occ:1.00
 FE1 A:SF4401 0.0 170.9 1.0
S2 A:SF4401 2.3 151.7 1.0
S3 A:SF4401 2.3 142.3 1.0
S4 A:SF4401 2.3 143.9 1.0
SG A:CYS329 2.3 133.6 1.0
FE3 A:SF4401 2.7 123.6 1.0
FE4 A:SF4401 2.7 136.4 1.0
FE2 A:SF4401 2.7 176.8 1.0
CB A:CYS329 3.2 146.2 1.0
CA A:CYS329 3.5 152.5 1.0
SG A:CYS287 3.7 128.9 1.0
S1 A:SF4401 3.9 156.6 1.0
C A:CYS329 4.1 160.6 1.0
CB A:CYS287 4.4 142.3 1.0
SG A:CYS336 4.5 156.9 1.0
N A:ASP330 4.5 156.7 1.0
N A:GLY331 4.6 151.7 1.0
O1 A:EDO402 4.6 112.9 1.0
CA A:CYS287 4.6 146.6 1.0
O A:CYS329 4.7 161.1 1.0
N A:CYS329 4.8 151.9 1.0
O A:ILE328 5.0 147.0 1.0

Iron binding site 2 out of 8 in 9he2

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Iron binding site 2 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:176.8
occ:1.00
 FE2 A:SF4401 0.0 176.8 1.0
O1 A:EDO402 2.2 112.9 1.0
S1 A:SF4401 2.3 156.6 1.0
S4 A:SF4401 2.3 143.9 1.0
S3 A:SF4401 2.3 142.3 1.0
FE3 A:SF4401 2.7 123.6 1.0
FE1 A:SF4401 2.7 170.9 1.0
FE4 A:SF4401 2.7 136.4 1.0
C1 A:EDO402 3.1 134.3 1.0
S2 A:SF4401 3.9 151.7 1.0
CB A:ALA289 3.9 158.6 1.0
ND2 A:ASN239 4.0 154.8 1.0
C2 A:EDO402 4.0 130.2 1.0
SG A:CYS329 4.3 133.6 1.0
CB A:ASN239 4.6 145.5 1.0
SG A:CYS287 4.8 128.9 1.0
SG A:CYS336 4.8 156.9 1.0
CG A:ASN239 4.8 148.3 1.0

Iron binding site 3 out of 8 in 9he2

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Iron binding site 3 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:123.6
occ:1.00
 FE3 A:SF4401 0.0 123.6 1.0
S1 A:SF4401 2.3 156.6 1.0
S4 A:SF4401 2.3 143.9 1.0
SG A:CYS287 2.3 128.9 1.0
S2 A:SF4401 2.3 151.7 1.0
FE2 A:SF4401 2.7 176.8 1.0
FE1 A:SF4401 2.7 170.9 1.0
FE4 A:SF4401 2.7 136.4 1.0
CB A:ALA289 3.3 158.6 1.0
S3 A:SF4401 3.9 142.3 1.0
CB A:CYS287 3.9 142.3 1.0
N A:VAL290 4.0 153.9 1.0
CG2 A:VAL290 4.2 147.4 1.0
CA A:ALA289 4.3 155.6 1.0
O1 A:EDO402 4.3 112.9 1.0
N A:ALA289 4.3 146.5 1.0
CA A:CYS287 4.5 146.6 1.0
C A:ALA289 4.6 150.7 1.0
SG A:CYS329 4.7 133.6 1.0
CB A:VAL290 4.8 148.0 1.0
C A:CYS287 4.9 152.5 1.0
CD1 A:LEU340 4.9 137.8 1.0
CA A:VAL290 5.0 151.4 1.0
SG A:CYS336 5.0 156.9 1.0

Iron binding site 4 out of 8 in 9he2

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Iron binding site 4 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:136.4
occ:1.00
 FE4 A:SF4401 0.0 136.4 1.0
S3 A:SF4401 2.3 142.3 1.0
S1 A:SF4401 2.3 156.6 1.0
S2 A:SF4401 2.3 151.7 1.0
SG A:CYS336 2.3 156.9 1.0
FE1 A:SF4401 2.7 170.9 1.0
FE3 A:SF4401 2.7 123.6 1.0
FE2 A:SF4401 2.7 176.8 1.0
CB A:CYS336 3.2 149.7 1.0
S4 A:SF4401 3.9 143.9 1.0
CA A:CYS336 4.3 150.3 1.0
ND2 A:ASN239 4.4 154.8 1.0
O A:GLY331 4.5 154.8 1.0
SG A:CYS287 4.6 128.9 1.0
C A:GLY331 4.8 152.9 1.0
CA A:GLY332 4.8 152.7 1.0
O1 A:EDO402 4.9 112.9 1.0
SG A:CYS329 5.0 133.6 1.0
N A:GLY332 5.0 151.3 1.0

Iron binding site 5 out of 8 in 9he2

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Iron binding site 5 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:141.1
occ:1.00
 FE1 B:SF4401 0.0 141.1 1.0
S2 B:SF4401 2.3 142.3 1.0
S3 B:SF4401 2.3 140.7 1.0
S4 B:SF4401 2.3 159.9 1.0
SG B:CYS329 2.3 138.8 1.0
FE3 B:SF4401 2.7 125.8 1.0
FE4 B:SF4401 2.7 122.3 1.0
FE2 B:SF4401 2.7 168.0 1.0
CB B:CYS329 3.3 157.6 1.0
CA B:CYS329 3.4 155.0 1.0
C B:CYS329 3.8 156.2 1.0
S1 B:SF4401 3.9 142.0 1.0
N B:GLY331 3.9 160.3 1.0
N B:ASP330 4.1 158.8 1.0
C B:GLY331 4.2 156.0 1.0
O B:CYS329 4.3 155.2 1.0
CA B:GLY331 4.3 157.5 1.0
O B:GLY331 4.4 155.0 1.0
SG B:CYS336 4.5 140.4 1.0
N B:GLY332 4.6 152.0 1.0
SG B:CYS287 4.6 122.6 1.0
O1 B:EDO402 4.8 137.6 1.0
N B:CYS329 4.8 149.8 1.0
C B:ASP330 4.9 170.3 1.0

Iron binding site 6 out of 8 in 9he2

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Iron binding site 6 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:168.0
occ:1.00
 FE2 B:SF4401 0.0 168.0 1.0
O1 B:EDO402 2.2 137.6 1.0
S1 B:SF4401 2.3 142.0 1.0
S3 B:SF4401 2.3 140.7 1.0
S4 B:SF4401 2.3 159.9 1.0
FE4 B:SF4401 2.7 122.3 1.0
FE3 B:SF4401 2.7 125.8 1.0
FE1 B:SF4401 2.7 141.1 1.0
C1 B:EDO402 3.6 139.1 1.0
S2 B:SF4401 3.9 142.3 1.0
CB B:ALA289 4.0 156.9 1.0
SG B:CYS329 4.1 138.8 1.0
C2 B:EDO402 4.3 136.8 1.0
SG B:CYS287 4.4 122.6 1.0
CB B:ASN239 4.7 152.7 1.0
ND2 B:ASN239 4.8 150.0 1.0
CG B:ASN239 4.9 151.0 1.0
SG B:CYS336 5.0 140.4 1.0

Iron binding site 7 out of 8 in 9he2

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Iron binding site 7 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:125.8
occ:1.00
 FE3 B:SF4401 0.0 125.8 1.0
SG B:CYS287 2.3 122.6 1.0
S2 B:SF4401 2.3 142.3 1.0
S1 B:SF4401 2.3 142.0 1.0
S4 B:SF4401 2.3 159.9 1.0
FE1 B:SF4401 2.7 141.1 1.0
FE4 B:SF4401 2.7 122.3 1.0
FE2 B:SF4401 2.7 168.0 1.0
CB B:CYS287 3.5 145.7 1.0
S3 B:SF4401 3.9 140.7 1.0
CA B:CYS287 4.2 155.1 1.0
SG B:CYS329 4.2 138.8 1.0
CA B:CYS329 4.5 155.0 1.0
CB B:CYS329 4.5 157.6 1.0
CD B:LYS339 4.6 142.2 1.0
CB B:ALA289 4.6 156.9 1.0
SG B:CYS336 4.7 140.4 1.0
O B:ILE328 4.7 142.5 1.0
O1 B:EDO402 4.8 137.6 1.0
CG2 B:VAL290 4.8 145.8 1.0
C B:CYS287 4.9 160.9 1.0

Iron binding site 8 out of 8 in 9he2

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Iron binding site 8 out of 8 in the Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Cyua C289A Mutant From Methanococcus Maripaludis with [4FE-4S] Clusters in Complex with Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:122.3
occ:1.00
 FE4 B:SF4401 0.0 122.3 1.0
S1 B:SF4401 2.3 142.0 1.0
SG B:CYS336 2.3 140.4 1.0
S2 B:SF4401 2.3 142.3 1.0
S3 B:SF4401 2.3 140.7 1.0
FE3 B:SF4401 2.7 125.8 1.0
FE1 B:SF4401 2.7 141.1 1.0
FE2 B:SF4401 2.7 168.0 1.0
CB B:CYS336 3.3 143.6 1.0
S4 B:SF4401 3.9 159.9 1.0
O B:GLY331 4.1 155.0 1.0
O1 B:EDO402 4.2 137.6 1.0
CA B:GLY332 4.3 149.7 1.0
CA B:CYS336 4.3 143.3 1.0
C B:GLY331 4.4 156.0 1.0
N B:GLY332 4.4 152.0 1.0
N B:LYS333 4.9 150.4 1.0
CG B:ASN239 4.9 151.0 1.0
OD1 B:ASN239 4.9 150.1 1.0
SG B:CYS287 5.0 122.6 1.0
SG B:CYS329 5.0 138.8 1.0

Reference:

B.Golinelli-Pimpaneau, S.Gervason, L.Pecqueur, B.Golinelli-Pimpaneau. N/A N/A.
Page generated: Sat Dec 13 16:38:13 2025

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