Iron in PDB 7tpy: Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control)

All present enzymatic activity of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control):
1.18.6.1;

The structure of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control), PDB code: 7tpy was solved by T.M.Buscagan, J.T.Kaiser, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.27 / 1.48
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.438, 73.726, 74.543, 90, 90, 90
R / Rfree (%)	17.3 / 19.4

The structure of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control) (pdb code 7tpy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control), PDB code: 7tpy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:20.0 occ:1.00 FE1 A:SF4301 0.0 20.0 1.0 S4 A:SF4301 2.3 19.5 1.0 SG A:CYS97 2.3 21.5 1.0 S3 A:SF4301 2.3 20.5 1.0 FE2 A:SF4301 2.7 20.1 1.0 CB A:CYS97 3.3 25.9 1.0 CA A:CYS97 3.8 21.0 1.0 N A:ALA98 4.1 18.8 1.0 C A:CYS97 4.3 20.8 1.0 CA A:GLY133 4.5 21.2 1.0 N A:GLY99 4.7 16.6 1.0 N A:GLY133 4.7 19.9 1.0 SG A:CYS132 4.9 22.2 1.0

Iron binding site 2 out of 2 in the Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (Nucleotide Control) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:20.1 occ:1.00 FE2 A:SF4301 0.0 20.1 1.0 S3 A:SF4301 2.3 20.5 1.0 S4 A:SF4301 2.3 19.5 1.0 SG A:CYS132 2.3 22.2 1.0 FE1 A:SF4301 2.7 20.0 1.0 CB A:CYS132 3.4 21.9 1.0 C A:CYS132 4.1 20.6 1.0 O A:CYS132 4.2 20.4 1.0 CG2 A:VAL130 4.3 21.0 1.0 CA A:CYS132 4.3 19.9 1.0 N A:GLY133 4.3 19.9 1.0 SG A:CYS97 4.8 21.5 1.0 CB A:VAL130 4.9 22.2 1.0 N A:CYS132 4.9 19.0 1.0 CA A:GLY133 4.9 21.2 1.0

T.M.Buscagan, J.T.Kaiser, D.C.Rees. Selenocyanate Derived Se-Incorporation Into the Nitrogenase Fe Protein Cluster. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35904245
DOI: 10.7554/ELIFE.79311