Iron in PDB 7tpv: Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (5MM Ksecn Soaked)

All present enzymatic activity of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (5MM Ksecn Soaked):
1.18.6.1;

The structure of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (5MM Ksecn Soaked), PDB code: 7tpv 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)	38.70 / 1.49
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.363, 73.691, 74.17, 90, 90, 90
R / Rfree (%)	17.5 / 19.9

The structure of Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (5MM Ksecn Soaked) 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 (5MM Ksecn Soaked) (pdb code 7tpv). 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 (5MM Ksecn Soaked), PDB code: 7tpv:
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 (5MM Ksecn Soaked)


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 (5MM Ksecn Soaked) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:18.2 occ:1.00 FE1 A:SF4302 0.0 18.2 1.0 S4 A:SF4302 2.3 18.5 1.0 SG A:CYS97 2.3 20.6 1.0 S3 A:SF4302 2.3 18.5 1.0 FE2 A:SF4302 2.7 18.8 1.0 CB A:CYS97 3.3 23.3 1.0 CA A:CYS97 3.7 18.7 1.0 N A:ALA98 4.1 16.7 1.0 C A:CYS97 4.2 19.0 1.0 CA A:GLY133 4.5 17.8 1.0 N A:GLY99 4.7 16.4 1.0 N A:GLY133 4.8 19.2 1.0 SG A:CYS132 4.8 21.4 1.0 O A:HOH474 4.9 24.4 1.0

Iron binding site 2 out of 2 in the Selenium-Free Nitrogenase Fe Protein (AV2) From A. Vinelandii (5MM Ksecn Soaked)


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 (5MM Ksecn Soaked) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:18.8 occ:1.00 FE2 A:SF4302 0.0 18.8 1.0 S3 A:SF4302 2.3 18.5 1.0 S4 A:SF4302 2.3 18.5 1.0 SG A:CYS132 2.3 21.4 1.0 FE1 A:SF4302 2.7 18.2 1.0 CB A:CYS132 3.4 19.3 1.0 C A:CYS132 4.1 21.6 1.0 CG2 A:VAL130 4.2 20.2 1.0 O A:CYS132 4.2 19.7 1.0 CA A:CYS132 4.3 18.1 1.0 N A:GLY133 4.4 19.2 1.0 SG A:CYS97 4.7 20.6 1.0 CB A:VAL130 4.8 22.0 1.0 CA A:GLY133 4.9 17.8 1.0 N A:CYS132 4.9 17.2 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