Molybdenum in PDB 1h1l: Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant

All present enzymatic activity of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant:
1.18.6.1;

The structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant, PDB code: 1h1l was solved by S.M.Mayer, C.A.Gormal, B.E.Smith, D.M.Lawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	204.060, 75.060, 164.260, 90.00, 123.95, 90.00
R / Rfree (%)	17.6 / 23.6

The structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Iron	(Fe)	30 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Molybdenum atom in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant (pdb code 1h1l). 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 Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant, PDB code: 1h1l:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1480 b:15.8 occ:1.00 MO1 A:CFM1480 0.0 15.8 1.0 O7 A:CIT1479 2.3 17.1 0.5 O A:HOH2307 2.3 16.7 0.5 ND1 A:HIS440 2.3 10.2 1.0 O A:HOH2306 2.3 18.2 0.5 O5 A:CIT1479 2.3 13.7 0.5 S4B A:CFM1480 2.3 12.4 1.0 S3B A:CFM1480 2.4 16.6 1.0 S1B A:CFM1480 2.4 12.5 1.0 FE7 A:CFM1480 2.6 16.2 1.0 FE5 A:CFM1480 2.7 15.4 1.0 FE6 A:CFM1480 2.7 15.1 1.0 C6 A:CIT1479 3.2 15.6 0.5 CE1 A:HIS440 3.2 16.3 1.0 C3 A:CIT1479 3.2 15.6 0.5 CG A:HIS440 3.3 20.3 1.0 CB A:HIS440 3.7 16.5 1.0 O2 A:CIT1479 4.0 16.2 0.5 O A:HOH2304 4.0 24.0 1.0 C2 A:CIT1479 4.0 17.3 0.5 O6 A:CIT1479 4.4 12.4 0.5 NE2 A:HIS440 4.4 13.7 1.0 C4 A:CIT1479 4.4 16.1 0.5 CD2 A:HIS440 4.4 19.9 1.0 C5 A:CIT1479 4.4 16.6 0.5 O4 A:CIT1479 4.5 16.6 0.5 C1 A:CIT1479 4.5 17.6 0.5 CA A:HIS440 4.6 15.4 1.0 S5 A:CFM1480 4.8 15.5 1.0 S3A A:CFM1480 4.8 13.8 1.0 S2B A:CFM1480 4.9 15.2 1.0 O A:HOH2303 4.9 29.2 1.0 O3 A:CIT1479 5.0 18.6 0.5

Molybdenum binding site 2 out of 2 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1480 b:17.5 occ:1.00 MO1 C:CFM1480 0.0 17.5 1.0 O C:HOH2277 2.2 16.5 0.5 O7 C:CIT1479 2.3 16.5 0.5 O C:HOH2276 2.3 20.7 0.5 O5 C:CIT1479 2.3 17.7 0.5 S4B C:CFM1480 2.3 13.9 1.0 ND1 C:HIS440 2.4 19.0 1.0 S3B C:CFM1480 2.4 17.5 1.0 S1B C:CFM1480 2.4 15.6 1.0 FE7 C:CFM1480 2.7 19.7 1.0 FE5 C:CFM1480 2.7 18.3 1.0 FE6 C:CFM1480 2.7 18.6 1.0 C6 C:CIT1479 3.1 15.6 0.5 C3 C:CIT1479 3.2 16.8 0.5 CG C:HIS440 3.4 20.1 1.0 CE1 C:HIS440 3.4 18.1 1.0 CB C:HIS440 3.6 18.4 1.0 O C:HOH2281 4.0 19.8 1.0 O2 C:CIT1479 4.0 18.0 0.5 C2 C:CIT1479 4.2 20.0 0.5 O6 C:CIT1479 4.3 14.4 0.5 C4 C:CIT1479 4.4 15.6 0.5 NE2 C:HIS440 4.5 19.4 1.0 CD2 C:HIS440 4.5 21.2 1.0 C1 C:CIT1479 4.6 21.3 0.5 C5 C:CIT1479 4.6 16.8 0.5 CA C:HIS440 4.7 18.8 1.0 S5 C:CFM1480 4.8 14.7 1.0 S2B C:CFM1480 4.8 20.3 1.0 S3A C:CFM1480 4.8 18.2 1.0 O C:HOH2214 4.9 35.2 1.0 O3 C:CIT1479 4.9 22.3 0.5 FE2 C:CFM1480 5.0 18.4 1.0

S.M.Mayer, C.A.Gormal, B.E.Smith, D.M.Lawson. Crystallographic Analysis of the Mofe Protein of Nitrogenase From A Nifv Mutant of Klebsiella Pneumoniae Identifies Citrate As A Ligand to the Molybdenum of Iron Molybdenum Cofactor (Femoco). J.Biol.Chem. V. 277 35263 2002.
ISSN: ISSN 0021-9258
PubMed: 12133839
DOI: 10.1074/JBC.M205888200