Molybdenum in PDB 1r27: Crystal Structure of Nargh Complex

All present enzymatic activity of Crystal Structure of Nargh Complex:
1.7.99.4;

The structure of Crystal Structure of Nargh Complex, PDB code: 1r27 was solved by M.Jormakka, D.Richardson, B.Byrne, S.Iwata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.86 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.401, 298.300, 296.853, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 23

The structure of Crystal Structure of Nargh Complex also contains other interesting chemical elements:

Iron

(Fe)

38 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Nargh Complex (pdb code 1r27). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of Nargh Complex, PDB code: 1r27:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of Nargh Complex


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 Nargh Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo5803 b:49.9 occ:1.00 O A:HOH6570 1.9 17.6 1.0 OD2 A:ASP222 2.0 36.5 1.0 S13 A:MGD5801 2.4 30.1 1.0 S13 A:MGD5802 2.4 33.3 1.0 S12 A:MGD5801 2.4 37.5 1.0 S12 A:MGD5802 2.6 30.0 1.0 CG A:ASP222 2.8 35.4 1.0 OD1 A:ASP222 3.2 33.9 1.0 C13 A:MGD5802 3.3 28.2 1.0 C13 A:MGD5801 3.4 32.3 1.0 C12 A:MGD5802 3.4 27.8 1.0 C12 A:MGD5801 3.4 31.6 1.0 N A:GLY579 3.7 26.8 1.0 CA A:GLY579 3.8 25.6 1.0 ND2 A:ASN52 3.9 27.5 1.0 CE1 A:HIS1098 4.0 26.7 1.0 CB A:ASP222 4.2 29.8 1.0 CE1 A:HIS1092 4.3 24.5 1.0 C A:VAL578 4.4 26.5 1.0 NE2 A:HIS1098 4.5 25.9 1.0 CB A:VAL578 4.6 27.1 1.0 C14 A:MGD5801 4.8 29.1 1.0 CB A:TYR220 4.8 32.3 1.0 C14 A:MGD5802 4.9 27.6 1.0 CA A:VAL578 4.9 26.0 1.0 C11 A:MGD5802 4.9 26.9 1.0 C11 A:MGD5801 5.0 30.5 1.0 CG A:ASN52 5.0 26.8 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of Nargh Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of Nargh Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo7803 b:48.5 occ:1.00 O C:HOH8538 1.9 18.2 1.0 OD2 C:ASP222 2.0 40.6 1.0 S13 C:MGD7801 2.4 34.0 1.0 S13 C:MGD7802 2.4 30.5 1.0 S12 C:MGD7801 2.5 37.1 1.0 S12 C:MGD7802 2.5 33.4 1.0 CG C:ASP222 2.9 36.5 1.0 OD1 C:ASP222 3.2 34.8 1.0 C13 C:MGD7801 3.4 32.5 1.0 C13 C:MGD7802 3.4 27.6 1.0 C12 C:MGD7801 3.4 32.2 1.0 C12 C:MGD7802 3.5 28.0 1.0 N C:GLY579 3.8 31.3 1.0 ND2 C:ASN52 3.8 31.7 1.0 CA C:GLY579 3.9 32.1 1.0 CE1 C:HIS1098 4.0 28.3 1.0 CE1 C:HIS1092 4.2 21.5 1.0 CB C:ASP222 4.3 32.8 1.0 NE2 C:HIS1098 4.4 27.9 1.0 C C:VAL578 4.4 30.8 1.0 CB C:VAL578 4.6 30.3 1.0 CB C:TYR220 4.7 35.6 1.0 C14 C:MGD7801 4.8 29.2 1.0 CD2 C:TYR220 4.8 39.1 1.0 C14 C:MGD7802 4.9 27.4 1.0 CG C:ASN52 5.0 31.6 1.0 C11 C:MGD7801 5.0 32.3 1.0 C11 C:MGD7802 5.0 28.8 1.0

M.Jormakka, D.Richardson, B.Byrne, S.Iwata. Architecture of Nargh Reveals A Structural Classification of Mo-Bismgd Enzymes Structure V. 12 95 2004.
ISSN: ISSN 0969-2126
PubMed: 14725769
DOI: 10.1016/J.STR.2003.11.020