Iron in PDB 1de0: Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein

All present enzymatic activity of Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein:
1.18.6.1;

The structure of Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein, PDB code: 1de0 was solved by S.B.Jang, L.C.Seefeldt, J.W.Peters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.540, 91.050, 63.350, 90.00, 99.76, 90.00
R / Rfree (%)	22.1 / 28.1

The binding sites of Iron atom in the Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein (pdb code 1de0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein, PDB code: 1de0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:28.6 occ:1.00 FE1 A:SF4290 0.0 28.6 1.0 SG B:CYS97 2.2 39.5 1.0 S4 A:SF4290 2.2 23.6 1.0 S3 A:SF4290 2.2 24.1 1.0 S2 A:SF4290 2.4 23.9 1.0 FE2 A:SF4290 2.5 28.5 1.0 FE4 A:SF4290 2.6 27.4 1.0 FE3 A:SF4290 2.7 28.0 1.0 CB B:CYS97 3.5 33.7 1.0 CA B:CYS97 3.6 37.2 1.0 CA B:GLY134 3.8 32.2 1.0 S1 A:SF4290 3.8 22.2 1.0 N B:ALA98 3.9 36.4 1.0 O A:HOH344 4.0 58.4 1.0 N B:GLY134 4.2 30.0 1.0 C B:CYS97 4.2 35.9 1.0 SG A:CYS97 4.5 33.7 1.0 SG B:CYS132 4.6 24.8 1.0 N B:GLY99 4.7 40.4 1.0 SG A:CYS132 4.8 30.3 1.0 N B:CYS97 4.9 40.1 1.0 O B:GLY96 5.0 47.3 1.0

Iron binding site 2 out of 4 in the Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:28.5 occ:1.00 FE2 A:SF4290 0.0 28.5 1.0 S4 A:SF4290 2.2 23.6 1.0 S3 A:SF4290 2.3 24.1 1.0 SG A:CYS132 2.4 30.3 1.0 S1 A:SF4290 2.4 22.2 1.0 FE1 A:SF4290 2.5 28.6 1.0 FE4 A:SF4290 2.6 27.4 1.0 FE3 A:SF4290 2.7 28.0 1.0 CB A:CYS132 3.3 26.7 1.0 S2 A:SF4290 3.9 23.9 1.0 N A:GLY134 4.1 27.0 1.0 CA A:GLY134 4.2 31.7 1.0 SG B:CYS97 4.5 39.5 1.0 N B:ALA98 4.5 36.4 1.0 SG A:CYS97 4.6 33.7 1.0 O B:GLY96 4.6 47.3 1.0 SG B:CYS132 4.6 24.8 1.0 CA A:CYS132 4.7 29.3 1.0 CA B:CYS97 4.7 37.2 1.0 N A:TRP135 4.8 37.2 1.0 C A:CYS132 4.8 26.9 1.0 N A:GLY133 4.9 25.5 1.0

Iron binding site 3 out of 4 in the Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:28.0 occ:1.00 FE3 A:SF4290 0.0 28.0 1.0 SG A:CYS97 2.1 33.7 1.0 S2 A:SF4290 2.3 23.9 1.0 S1 A:SF4290 2.3 22.2 1.0 S4 A:SF4290 2.3 23.6 1.0 FE4 A:SF4290 2.6 27.4 1.0 FE1 A:SF4290 2.7 28.6 1.0 FE2 A:SF4290 2.7 28.5 1.0 CB A:CYS97 3.3 30.1 1.0 CA A:CYS97 3.4 35.8 1.0 N A:ALA98 3.8 35.9 1.0 S3 A:SF4290 4.0 24.1 1.0 C A:CYS97 4.1 36.6 1.0 CA A:GLY134 4.2 31.7 1.0 O A:HOH344 4.6 58.4 1.0 SG B:CYS97 4.6 39.5 1.0 N A:GLY134 4.7 27.0 1.0 N A:GLY99 4.7 39.9 1.0 N A:CYS97 4.7 39.6 1.0 SG A:CYS132 4.7 30.3 1.0 SG B:CYS132 4.8 24.8 1.0 CA A:ALA98 5.0 39.2 1.0

Iron binding site 4 out of 4 in the Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe290 b:27.4 occ:1.00 FE4 A:SF4290 0.0 27.4 1.0 S1 A:SF4290 2.2 22.2 1.0 S2 A:SF4290 2.3 23.9 1.0 SG B:CYS132 2.4 24.8 1.0 S3 A:SF4290 2.4 24.1 1.0 FE3 A:SF4290 2.6 28.0 1.0 FE1 A:SF4290 2.6 28.6 1.0 FE2 A:SF4290 2.6 28.5 1.0 CB B:CYS132 3.2 25.6 1.0 S4 A:SF4290 3.7 23.6 1.0 N B:GLY134 3.9 30.0 1.0 CA B:GLY134 4.1 32.2 1.0 SG A:CYS97 4.5 33.7 1.0 CA B:CYS132 4.5 29.2 1.0 O A:HOH391 4.5 55.6 1.0 SG B:CYS97 4.6 39.5 1.0 N A:ALA98 4.6 35.9 1.0 CA A:CYS97 4.6 35.8 1.0 SG A:CYS132 4.7 30.3 1.0 C B:CYS132 4.7 28.6 1.0 N B:GLY133 4.7 27.1 1.0 O A:GLY96 4.9 34.1 1.0 N B:TRP135 4.9 37.4 1.0

S.B.Jang, L.C.Seefeldt, J.W.Peters. Modulating the Midpoint Potential of the [4FE-4S] Cluster of the Nitrogenase Fe Protein. Biochemistry V. 39 641 2000.
ISSN: ISSN 0006-2960
PubMed: 10651628
DOI: 10.1021/BI991694V