Molybdenum in PDB 1mio: X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution

The structure of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution, PDB code: 1mio was solved by J.Kim, D.Woo, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.960, 151.300, 121.900, 90.00, 110.40, 90.00
R / Rfree (%)	18 / n/a

The structure of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution also contains other interesting chemical elements:

Iron	(Fe)	30 atoms
Calcium	(Ca)	2 atoms

The binding sites of Molybdenum atom in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution (pdb code 1mio). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution, PDB code: 1mio:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo496 b:2.4 occ:1.00 MO1 B:CFM496 0.0 2.4 1.0 O7 B:HCA494 2.2 2.2 1.0 ND1 A:HIS482 2.2 3.5 1.0 O5 B:HCA494 2.2 2.1 1.0 S4B B:CFM496 2.3 5.1 1.0 S3B B:CFM496 2.3 3.2 1.0 S1B B:CFM496 2.4 7.8 1.0 FE6 B:CFM496 2.7 2.3 1.0 FE5 B:CFM496 2.8 5.0 1.0 FE7 B:CFM496 2.8 2.4 1.0 CE1 A:HIS482 2.9 4.1 1.0 C7 B:HCA494 3.1 2.0 1.0 C3 B:HCA494 3.2 2.0 1.0 CG A:HIS482 3.2 3.2 1.0 CB A:HIS482 3.9 2.8 1.0 C4 B:HCA494 4.0 2.1 1.0 NE2 A:HIS482 4.0 4.3 1.0 CD2 A:HIS482 4.2 3.9 1.0 O6 B:HCA494 4.3 5.1 1.0 C2 B:HCA494 4.4 2.9 1.0 CA A:HIS482 4.6 3.0 1.0 C1 B:HCA494 4.7 2.0 1.0 O2 B:HCA494 4.8 2.1 1.0 C5 B:HCA494 4.9 2.1 1.0 S2B B:CFM496 4.9 9.0 1.0 S5 B:CFM496 5.0 2.1 1.0 S3A B:CFM496 5.0 5.2 1.0

Molybdenum binding site 2 out of 2 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Mo496 b:7.2 occ:1.00 MO1 D:CFM496 0.0 7.2 1.0 O5 D:HCA494 2.2 8.9 1.0 O7 D:HCA494 2.2 8.1 1.0 ND1 C:HIS482 2.2 9.6 1.0 S4B D:CFM496 2.3 9.8 1.0 S3B D:CFM496 2.4 2.2 1.0 S1B D:CFM496 2.4 3.0 1.0 FE7 D:CFM496 2.7 2.4 1.0 FE5 D:CFM496 2.8 2.2 1.0 FE6 D:CFM496 2.9 23.8 1.0 CE1 C:HIS482 3.0 8.8 1.0 C7 D:HCA494 3.1 10.0 1.0 C3 D:HCA494 3.2 8.7 1.0 CG C:HIS482 3.3 9.9 1.0 CB C:HIS482 4.0 8.6 1.0 C2 D:HCA494 4.2 8.9 1.0 NE2 C:HIS482 4.2 10.5 1.0 O6 D:HCA494 4.2 17.1 1.0 C4 D:HCA494 4.3 11.7 1.0 C5 D:HCA494 4.3 12.7 1.0 CD2 C:HIS482 4.4 11.2 1.0 O2 D:HCA494 4.5 10.9 1.0 CA C:HIS482 4.6 8.0 1.0 FE4 D:CFM496 4.9 2.1 1.0 S3A D:CFM496 4.9 7.1 1.0 C1 D:HCA494 4.9 8.6 1.0 S5 D:CFM496 4.9 4.1 1.0 CG1 C:VAL343 5.0 13.6 1.0

J.Kim, D.Woo, D.C.Rees. X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0-A Resolution. Biochemistry V. 32 7104 1993.
ISSN: ISSN 0006-2960
PubMed: 8393705
DOI: 10.1021/BI00079A006