Molybdenum in PDB 9cjf: Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft

All present enzymatic activity of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft:
1.18.6.1;

The structure of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft also contains other interesting chemical elements:

Iron

(Fe)

32 atoms

The binding sites of Molybdenum atom in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft (pdb code 9cjf). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft, PDB code: 9cjf:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo600 b:111.9 occ:1.00 MO1 A:ICS600 0.0 111.9 1.0 S4B A:ICS600 2.4 80.4 1.0 S1B A:ICS600 2.4 80.6 1.0 S3B A:ICS600 2.4 79.7 1.0 FE7 A:ICS600 2.7 94.1 1.0 FE6 A:ICS600 2.7 92.7 1.0 FE5 A:ICS600 2.7 92.9 1.0 ND1 A:HIS442 2.7 66.3 1.0 CG A:HIS442 3.5 66.5 1.0 CX A:ICS600 3.6 81.3 1.0 CB A:HIS442 3.7 66.0 1.0 CE1 A:HIS442 3.7 65.4 1.0 CA A:HIS442 4.2 64.8 1.0 CD2 A:HIS442 4.6 68.4 1.0 NE2 A:HIS442 4.7 69.0 1.0 S2B A:ICS600 4.8 83.1 1.0 S5A A:ICS600 4.8 81.6 1.0 C A:HIS442 4.9 60.8 1.0 NE A:ARG96 4.9 47.9 1.0 S3A A:ICS600 4.9 85.0 1.0 O A:HIS442 4.9 64.3 1.0

Molybdenum binding site 2 out of 2 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo600 b:100.3 occ:1.00 MO1 C:ICS600 0.0 100.3 1.0 S4B C:ICS600 2.4 82.7 1.0 S1B C:ICS600 2.4 75.2 1.0 S3B C:ICS600 2.4 78.8 1.0 FE6 C:ICS600 2.7 82.3 1.0 FE7 C:ICS600 2.7 80.9 1.0 FE5 C:ICS600 2.7 82.0 1.0 O C:HOH812 2.8 78.4 1.0 O C:HOH809 3.4 51.5 1.0 CX C:ICS600 3.6 76.6 1.0 N C:SER443 4.1 54.2 1.0 S2B C:ICS600 4.8 75.4 1.0 S5A C:ICS600 4.8 78.2 1.0 S3A C:ICS600 4.9 81.2 1.0

R.A.Warmack, D.C.Rees. Structural Evolution of Nitrogenase States Under Alkaline Turnover. Nat Commun V. 15 10472 2024.
ISSN: ESSN 2041-1723
PubMed: 39622820
DOI: 10.1038/S41467-024-54713-0