Molybdenum in PDB 4wn9: Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon

All present enzymatic activity of Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon:
1.18.6.1;

The structure of Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon, PDB code: 4wn9 was solved by C.N.Morrison, J.A.Hoy, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.75 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	67.309, 73.446, 108.658, 73.47, 87.56, 83.98
R / Rfree (%)	17.9 / 23.4

The structure of Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon also contains other interesting chemical elements:

Iron	(Fe)	32 atoms
Xenon	(Xe)	6 atoms

The binding sites of Molybdenum atom in the Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon (pdb code 4wn9). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon, PDB code: 4wn9:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo602 b:21.2 occ:1.00 MO1 A:ICS602 0.0 21.2 1.0 O5 A:HCA601 2.1 20.6 1.0 O7 A:HCA601 2.2 17.0 1.0 S1B A:ICS602 2.3 21.8 1.0 S4B A:ICS602 2.3 24.4 1.0 S3B A:ICS602 2.4 24.0 1.0 ND1 A:HIS482 2.4 21.0 1.0 FE6 A:ICS602 2.7 21.6 1.0 FE7 A:ICS602 2.7 24.3 1.0 FE5 A:ICS602 2.7 21.4 1.0 C7 A:HCA601 2.9 19.8 1.0 C3 A:HCA601 3.0 20.9 1.0 CE1 A:HIS482 3.3 21.2 1.0 CG A:HIS482 3.4 21.6 1.0 CX A:ICS602 3.5 22.7 1.0 CB A:HIS482 3.7 21.9 1.0 C2 A:HCA601 4.0 25.4 1.0 O A:HOH825 4.0 26.1 1.0 O6 A:HCA601 4.1 18.6 1.0 C5 A:HCA601 4.1 19.6 1.0 C4 A:HCA601 4.2 20.4 1.0 O A:HOH777 4.2 21.3 1.0 O1 A:HCA601 4.4 37.5 1.0 NE2 A:HIS482 4.5 22.9 1.0 CD2 A:HIS482 4.5 21.6 1.0 CA A:HIS482 4.6 21.0 1.0 C1 A:HCA601 4.7 31.1 1.0 S2B A:ICS602 4.8 22.8 1.0 S5A A:ICS602 4.8 25.2 1.0 S3A A:ICS602 4.9 23.9 1.0

Molybdenum binding site 2 out of 2 in the Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Structure of the Nitrogenase Mofe Protein From Clostridium Pasteurianum Pressurized with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo602 b:19.6 occ:1.00 MO1 C:ICS602 0.0 19.6 1.0 O7 C:HCA601 2.0 18.9 1.0 O5 C:HCA601 2.2 20.9 1.0 S1B C:ICS602 2.3 18.2 1.0 S4B C:ICS602 2.3 20.6 1.0 ND1 C:HIS482 2.4 18.8 1.0 S3B C:ICS602 2.4 21.6 1.0 FE7 C:ICS602 2.7 21.6 1.0 FE6 C:ICS602 2.7 20.0 1.0 FE5 C:ICS602 2.7 21.8 1.0 C7 C:HCA601 3.0 22.1 1.0 C3 C:HCA601 3.0 22.6 1.0 CE1 C:HIS482 3.2 22.4 1.0 CG C:HIS482 3.4 21.4 1.0 CX C:ICS602 3.5 22.0 1.0 CB C:HIS482 3.8 19.5 1.0 C5 C:HCA601 4.0 16.7 1.0 C2 C:HCA601 4.0 25.9 1.0 C4 C:HCA601 4.1 20.0 1.0 O C:HOH788 4.2 21.9 1.0 O1 C:HCA601 4.2 36.6 1.0 O6 C:HCA601 4.2 23.3 1.0 O C:HOH889 4.3 23.7 1.0 NE2 C:HIS482 4.4 19.4 1.0 CD2 C:HIS482 4.5 17.1 1.0 C1 C:HCA601 4.6 30.7 1.0 CA C:HIS482 4.6 22.2 1.0 S2B C:ICS602 4.8 18.2 1.0 S5A C:ICS602 4.8 23.5 1.0 S3A C:ICS602 4.9 19.3 1.0

C.N.Morrison, J.A.Hoy, L.Zhang, O.Einsle, D.C.Rees. Substrate Pathways in the Nitrogenase Mofe Protein By Experimental Identification of Small Molecule Binding Sites. Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25710326
DOI: 10.1021/BI501313K