Molybdenum in PDB 4wzb: Crystal Structure of Mgamppcp-Bound AV2-AV1 Complex

All present enzymatic activity of Crystal Structure of Mgamppcp-Bound AV2-AV1 Complex:
1.18.6.1;

The structure of Crystal Structure of Mgamppcp-Bound AV2-AV1 Complex, PDB code: 4wzb was solved by F.A.Tezcan, J.T.Kaiser, D.Mustafi, M.Y.Walton, J.B.Howard, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.38 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	110.533, 120.894, 264.834, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.5

The structure of Crystal Structure of Mgamppcp-Bound AV2-AV1 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Iron	(Fe)	40 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Mgamppcp-Bound AV2-AV1 Complex (pdb code 4wzb). 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 Mgamppcp-Bound AV2-AV1 Complex, PDB code: 4wzb:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of Mgamppcp-Bound AV2-AV1 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 Mgamppcp-Bound AV2-AV1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1496 b:26.3 occ:1.00 MO1 A:ICS1496 0.0 26.3 1.0 O5 A:HCA1494 1.9 21.7 1.0 S1B A:ICS1496 2.3 24.9 1.0 S3B A:ICS1496 2.4 24.4 1.0 S4B A:ICS1496 2.4 23.3 1.0 ND1 A:HIS442 2.4 25.3 1.0 O7 A:HCA1494 2.5 20.6 1.0 FE6 A:ICS1496 2.7 24.1 1.0 FE7 A:ICS1496 2.7 22.4 1.0 FE5 A:ICS1496 2.7 23.7 1.0 C7 A:HCA1494 2.9 22.9 1.0 C3 A:HCA1494 3.2 21.0 1.0 CE1 A:HIS442 3.4 25.5 1.0 CG A:HIS442 3.4 25.1 1.0 CX A:ICS1496 3.6 22.0 1.0 CB A:HIS442 3.7 22.8 1.0 O6 A:HCA1494 4.0 20.8 1.0 C2 A:HCA1494 4.1 20.8 1.0 C4 A:HCA1494 4.4 21.8 1.0 O2 A:HCA1494 4.5 20.9 1.0 NE2 A:HIS442 4.5 24.0 1.0 CA A:HIS442 4.5 24.6 1.0 CD2 A:HIS442 4.6 23.9 1.0 C5 A:HCA1494 4.7 21.3 1.0 S2B A:ICS1496 4.7 20.9 1.0 C1 A:HCA1494 4.8 23.1 1.0 S5A A:ICS1496 4.8 25.6 1.0 S3A A:ICS1496 4.9 24.1 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of Mgamppcp-Bound AV2-AV1 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 Mgamppcp-Bound AV2-AV1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1496 b:22.1 occ:1.00 MO1 C:ICS1496 0.0 22.1 1.0 O5 C:HCA1494 1.9 16.5 1.0 S4B C:ICS1496 2.3 19.1 1.0 S1B C:ICS1496 2.3 18.6 1.0 S3B C:ICS1496 2.4 18.9 1.0 ND1 C:HIS442 2.5 18.9 1.0 O7 C:HCA1494 2.5 15.9 1.0 FE6 C:ICS1496 2.7 18.1 1.0 FE7 C:ICS1496 2.7 18.7 1.0 FE5 C:ICS1496 2.7 19.4 1.0 C7 C:HCA1494 2.9 18.1 1.0 C3 C:HCA1494 3.3 16.8 1.0 CE1 C:HIS442 3.5 19.5 1.0 CG C:HIS442 3.5 18.8 1.0 CX C:ICS1496 3.6 17.8 1.0 CB C:HIS442 3.7 18.8 1.0 O6 C:HCA1494 4.1 18.0 1.0 C5 C:HCA1494 4.2 17.0 1.0 C2 C:HCA1494 4.2 17.7 1.0 C4 C:HCA1494 4.4 17.1 1.0 O2 C:HCA1494 4.4 18.5 1.0 CA C:HIS442 4.6 20.2 1.0 NE2 C:HIS442 4.6 23.0 1.0 CD2 C:HIS442 4.6 22.1 1.0 S2B C:ICS1496 4.8 22.0 1.0 C1 C:HCA1494 4.8 18.9 1.0 S5A C:ICS1496 4.8 16.0 1.0 S3A C:ICS1496 4.9 20.4 1.0 O C:HOH1543 4.9 17.2 1.0

F.A.Tezcan, J.T.Kaiser, D.Mustafi, M.Y.Walton, J.B.Howard, D.C.Rees. Nitrogenase Complexes: Multiple Docking Sites For A Nucleotide Switch Protein. Science V. 309 1377 2005.
ISSN: ESSN 1095-9203
PubMed: 16123301
DOI: 10.1126/SCIENCE.1115653