Molybdenum in PDB 3ir5: Crystal Structure of Narghi Mutant Narg-H49C

All present enzymatic activity of Crystal Structure of Narghi Mutant Narg-H49C:
1.7.99.4;

The structure of Crystal Structure of Narghi Mutant Narg-H49C, PDB code: 3ir5 was solved by M.G.Bertero, R.A.Rothery, J.H.Weiner, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.61 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	153.447, 240.694, 139.751, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.7

The structure of Crystal Structure of Narghi Mutant Narg-H49C also contains other interesting chemical elements:

Iron

(Fe)

21 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Narghi Mutant Narg-H49C (pdb code 3ir5). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total only one binding site of Molybdenum was determined in the Crystal Structure of Narghi Mutant Narg-H49C, PDB code: 3ir5:

Molybdenum binding site 1 out of 1 in the Crystal Structure of Narghi Mutant Narg-H49C


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Narghi Mutant Narg-H49C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1248 b:61.3 occ:1.00 OD1 A:ASP222 2.0 53.2 1.0 O A:HOH1469 2.2 31.3 1.0 S13 A:MD11247 2.4 55.0 1.0 S13 A:MD11251 2.4 53.2 1.0 S12 A:MD11247 2.4 57.3 1.0 OD2 A:ASP222 2.4 50.9 1.0 S12 A:MD11251 2.5 56.5 1.0 CG A:ASP222 2.5 48.5 1.0 C13 A:MD11247 3.5 55.7 1.0 C12 A:MD11247 3.6 58.7 1.0 C13 A:MD11251 3.6 54.0 1.0 C12 A:MD11251 3.6 55.4 1.0 N A:GLY579 3.7 38.2 1.0 CA A:GLY579 3.7 38.1 1.0 CB A:ASP222 4.0 45.7 1.0 ND2 A:ASN52 4.1 41.6 1.0 CB A:TYR220 4.2 46.3 1.0 CE1 A:HIS1092 4.3 35.9 1.0 C A:VAL578 4.4 37.7 1.0 CE1 A:HIS1098 4.5 38.2 1.0 CD1 A:TYR220 4.6 52.4 1.0 CB A:VAL578 4.6 38.2 1.0 O A:TYR220 4.7 42.6 1.0 CG A:TYR220 4.9 50.7 1.0 CA A:ASP222 4.9 40.5 1.0 NE2 A:HIS1098 4.9 37.9 1.0 C14 A:MD11247 4.9 53.2 1.0 O A:VAL578 5.0 37.2 1.0

R.A.Rothery, M.G.Bertero, T.Spreter, N.Bouromand, N.C.Strynadka, J.H.Weiner. Protein Crystallography Reveals A Role For the FS0 Cluster of Escherichia Coli Nitrate Reductase A (Narghi) in Enzyme Maturation. J.Biol.Chem. V. 285 8801 2010.
ISSN: ISSN 0021-9258
PubMed: 20053990
DOI: 10.1074/JBC.M109.066027