Iron in PDB 1nip: Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii

The structure of Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii, PDB code: 1nip was solved by H.Komiya, M.M.Georgiadis, P.Chakrabarti, D.Woo, J.J.Kornuc, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.800, 92.900, 63.600, 90.00, 100.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii (pdb code 1nip). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii, PDB code: 1nip:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe290 b:8.6 occ:1.00 FE1 B:SF4290 0.0 8.6 1.0 S3 B:SF4290 2.2 9.6 1.0 SG B:CYS97 2.3 9.7 1.0 S2 B:SF4290 2.3 7.2 1.0 S4 B:SF4290 2.3 23.6 1.0 FE4 B:SF4290 2.7 8.2 1.0 FE2 B:SF4290 2.7 10.6 1.0 FE3 B:SF4290 2.8 6.4 1.0 CB B:CYS97 3.2 5.0 1.0 CA B:CYS97 3.2 5.0 1.0 N B:ALA98 3.3 26.9 1.0 C B:CYS97 3.8 19.4 1.0 S1 B:SF4290 3.9 7.4 1.0 CA B:GLY134 4.1 11.4 1.0 N B:GLY134 4.3 5.0 1.0 N B:CYS97 4.4 16.5 1.0 N B:GLY99 4.5 25.9 1.0 CA B:ALA98 4.5 34.1 1.0 SG A:CYS132 4.5 21.5 1.0 CB A:CYS132 4.6 11.1 1.0 CB B:ALA98 4.6 39.5 1.0 SG B:CYS132 4.6 22.1 1.0 O B:GLY96 4.7 41.8 1.0 C B:GLY96 5.0 36.5 1.0

Iron binding site 2 out of 4 in the Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe290 b:10.6 occ:1.00 FE2 B:SF4290 0.0 10.6 1.0 S4 B:SF4290 2.3 23.6 1.0 S1 B:SF4290 2.3 7.4 1.0 SG A:CYS132 2.3 21.5 1.0 S3 B:SF4290 2.3 9.6 1.0 FE4 B:SF4290 2.7 8.2 1.0 FE3 B:SF4290 2.7 6.4 1.0 FE1 B:SF4290 2.7 8.6 1.0 CB A:CYS132 3.4 11.1 1.0 S2 B:SF4290 3.9 7.2 1.0 N A:GLY134 4.1 25.7 1.0 SG A:CYS97 4.4 16.0 1.0 CA A:GLY134 4.5 35.3 1.0 N A:GLY133 4.5 16.1 1.0 CD2 A:PHE135 4.6 10.8 1.0 SG B:CYS132 4.6 22.1 1.0 CE2 A:PHE135 4.6 9.1 1.0 CA A:CYS132 4.6 18.0 1.0 C A:CYS132 4.7 14.3 1.0 SG B:CYS97 5.0 9.7 1.0 O B:GLY96 5.0 41.8 1.0 C A:GLY134 5.0 28.4 1.0

Iron binding site 3 out of 4 in the Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe290 b:6.4 occ:1.00 FE3 B:SF4290 0.0 6.4 1.0 S2 B:SF4290 2.3 7.2 1.0 S4 B:SF4290 2.3 23.6 1.0 S1 B:SF4290 2.3 7.4 1.0 SG A:CYS97 2.3 16.0 1.0 FE4 B:SF4290 2.6 8.2 1.0 FE2 B:SF4290 2.7 10.6 1.0 FE1 B:SF4290 2.8 8.6 1.0 CB A:CYS97 3.4 24.4 1.0 S3 B:SF4290 3.9 9.6 1.0 SG B:CYS97 4.2 9.7 1.0 CA A:CYS97 4.5 32.0 1.0 N A:ALA98 4.7 41.9 1.0 N A:GLY134 4.7 25.7 1.0 SG A:CYS132 4.7 21.5 1.0 CA A:GLY134 4.8 35.3 1.0 CB B:CYS97 4.9 5.0 1.0 SG B:CYS132 4.9 22.1 1.0

Iron binding site 4 out of 4 in the Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe290 b:8.2 occ:1.00 FE4 B:SF4290 0.0 8.2 1.0 S2 B:SF4290 2.2 7.2 1.0 S1 B:SF4290 2.3 7.4 1.0 S3 B:SF4290 2.3 9.6 1.0 SG B:CYS132 2.3 22.1 1.0 FE3 B:SF4290 2.6 6.4 1.0 FE1 B:SF4290 2.7 8.6 1.0 FE2 B:SF4290 2.7 10.6 1.0 CB B:CYS132 3.4 8.4 1.0 S4 B:SF4290 3.8 23.6 1.0 N B:GLY134 3.9 5.0 1.0 SG A:CYS97 4.0 16.0 1.0 CA B:GLY134 4.3 11.4 1.0 SG B:CYS97 4.4 9.7 1.0 C B:CYS132 4.5 18.4 1.0 N B:GLY133 4.5 17.6 1.0 CB A:CYS97 4.5 24.4 1.0 CA B:CYS132 4.6 16.3 1.0 CE1 B:PHE135 4.7 46.8 1.0 O B:CYS132 4.8 7.6 1.0 CD1 B:PHE135 4.9 34.5 1.0 C B:GLY133 4.9 5.0 1.0 SG A:CYS132 4.9 21.5 1.0 CA B:GLY133 5.0 9.5 1.0 O A:GLY96 5.0 38.2 1.0

M.M.Georgiadis, H.Komiya, P.Chakrabarti, D.Woo, J.J.Kornuc, D.C.Rees. Crystallographic Structure of the Nitrogenase Iron Protein From Azotobacter Vinelandii. Science V. 257 1653 1992.
ISSN: ISSN 0036-8075
PubMed: 1529353