Molybdenum in PDB 4wes: Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution

All present enzymatic activity of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution:
1.18.6.1;

The structure of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution, PDB code: 4wes was solved by L.M.Zhang, C.N.Morrison, 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)	38.93 / 1.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.701, 170.581, 87.540, 90.00, 91.63, 90.00
R / Rfree (%)	11 / 13.3

The structure of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution also contains other interesting chemical elements:

Iron

(Fe)

36 atoms

The binding sites of Molybdenum atom in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution (pdb code 4wes). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution, PDB code: 4wes:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo602 b:7.5 occ:1.00 MO1 A:ICS602 0.0 7.5 1.0 O7 A:HCA601 2.2 7.5 1.0 O5 A:HCA601 2.2 7.3 1.0 ND1 A:HIS482 2.3 7.7 1.0 S1B A:ICS602 2.3 7.9 1.0 S4B A:ICS602 2.3 7.8 1.0 S3B A:ICS602 2.4 7.6 1.0 FE7 A:ICS602 2.7 7.7 1.0 FE6 A:ICS602 2.7 7.8 1.0 FE5 A:ICS602 2.7 7.8 1.0 C7 A:HCA601 3.0 7.6 1.0 C3 A:HCA601 3.1 7.4 1.0 CE1 A:HIS482 3.2 7.9 1.0 CG A:HIS482 3.4 7.8 1.0 CX A:ICS602 3.5 8.3 1.0 CB A:HIS482 3.7 8.0 1.0 C2 A:HCA601 4.1 8.1 1.0 C5 A:HCA601 4.2 8.3 1.0 O A:HOH784 4.2 9.5 1.0 O6 A:HCA601 4.2 8.1 1.0 C4 A:HCA601 4.2 7.4 1.0 O1 A:HCA601 4.3 10.1 1.0 NE2 A:HIS482 4.4 8.5 1.0 CD2 A:HIS482 4.5 8.5 1.0 CA A:HIS482 4.6 7.8 1.0 C1 A:HCA601 4.7 9.7 1.0 S2B A:ICS602 4.8 8.2 1.0 S5A A:ICS602 4.8 8.4 1.0 S3A A:ICS602 4.9 8.4 1.0

Molybdenum binding site 2 out of 2 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo602 b:8.6 occ:1.00 MO1 C:ICS602 0.0 8.6 1.0 O7 C:HCA601 2.2 8.8 1.0 O6 C:HCA601 2.2 8.5 1.0 S4B C:ICS602 2.4 9.2 1.0 S1B C:ICS602 2.4 9.2 1.0 ND1 C:HIS482 2.4 9.6 1.0 S3B C:ICS602 2.4 8.9 1.0 FE7 C:ICS602 2.7 8.9 1.0 FE6 C:ICS602 2.7 8.9 1.0 FE5 C:ICS602 2.7 9.1 1.0 C7 C:HCA601 3.0 8.0 1.0 C3 C:HCA601 3.1 8.2 1.0 CE1 C:HIS482 3.3 9.4 1.0 CG C:HIS482 3.4 8.8 1.0 CX C:ICS602 3.5 10.1 1.0 CB C:HIS482 3.7 8.7 1.0 C2 C:HCA601 4.1 8.4 1.0 O C:HOH754 4.1 10.6 1.0 C5 C:HCA601 4.2 8.8 1.0 O5 C:HCA601 4.2 8.4 1.0 C4 C:HCA601 4.2 8.3 1.0 O2 C:HCA601 4.3 11.0 1.0 NE2 C:HIS482 4.4 10.0 1.0 CD2 C:HIS482 4.5 9.3 1.0 CA C:HIS482 4.6 8.9 1.0 C1 C:HCA601 4.7 10.0 1.0 S2B C:ICS602 4.8 9.4 1.0 S5A C:ICS602 4.8 9.8 1.0 S3A C:ICS602 4.9 9.9 1.0

L.-M.Zhang, C.N.Morrison, J.T.Kaiser, D.C.Rees. Nitrogenase Mofe Protein From Clostridium Pasteurianum at 1.08 A Resolution: Comparison with the Azotobacter Vinelandii Mofe Protein Acta Crystallogr.,Sect.D V. 71 274 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714025243