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

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

The structure of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii, PDB code: 7tpw 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)	38.94 / 1.18
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.57, 74.531, 74.975, 90, 90, 90
R / Rfree (%)	14.1 / 15.8

The structure of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii 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 (pdb code 7tpw). 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, PDB code: 7tpw:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:12.1 occ:1.00 FE1 A:SF4303 0.0 12.1 1.0 S4 A:SF4303 2.3 12.0 1.0 SG A:CYS97 2.3 15.4 1.0 S3 A:SF4303 2.3 12.8 1.0 FE2 A:SF4303 2.7 12.1 1.0 CB A:CYS97 3.3 14.8 1.0 CA A:CYS97 3.7 15.0 1.0 N A:ALA98 4.1 12.1 1.0 C A:CYS97 4.3 12.6 1.0 CA A:GLY133 4.5 13.6 1.0 N A:GLY99 4.7 10.7 1.0 N A:GLY133 4.8 12.9 1.0 SG A:CYS132 4.8 13.4 1.0 O A:HOH505 4.9 16.5 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:12.1 occ:1.00 FE2 A:SF4303 0.0 12.1 1.0 S3 A:SF4303 2.3 12.8 1.0 SG A:CYS132 2.3 13.4 1.0 S4 A:SF4303 2.3 12.0 1.0 FE1 A:SF4303 2.7 12.1 1.0 CB A:CYS132 3.4 13.0 1.0 C A:CYS132 4.1 11.9 1.0 O A:CYS132 4.3 12.2 1.0 CG2 A:VAL130 4.3 13.7 1.0 CA A:CYS132 4.3 11.7 1.0 N A:GLY133 4.4 12.9 1.0 SG A:CYS97 4.8 15.4 1.0 CB A:VAL130 4.8 12.4 1.0 N A:CYS132 4.9 11.6 1.0 CA A:GLY133 4.9 13.6 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