Molybdenum in PDB 8eno: Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft

All present enzymatic activity of Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft:
1.18.6.1;

The structure of Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft also contains other interesting chemical elements:

Iron

(Fe)

32 atoms

The binding sites of Molybdenum atom in the Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft (pdb code 8eno). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft, PDB code: 8eno:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo600 b:157.4 occ:1.00 MO1 A:ICS600 0.0 157.4 1.0 O6 A:CIT601 2.2 119.6 1.0 O7 A:CIT601 2.2 123.2 1.0 ND1 A:HIS442 2.3 104.9 1.0 S4B A:ICS600 2.4 129.0 1.0 S1B A:ICS600 2.4 132.1 1.0 S3B A:ICS600 2.4 129.1 1.0 FE6 A:ICS600 2.7 132.7 1.0 FE7 A:ICS600 2.7 134.0 1.0 FE5 A:ICS600 2.7 131.6 1.0 C6 A:CIT601 2.9 120.5 1.0 C3 A:CIT601 2.9 121.3 1.0 CE1 A:HIS442 3.0 104.0 1.0 C2 A:CIT601 3.3 118.6 1.0 CG A:HIS442 3.5 102.3 1.0 CX A:ICS600 3.6 128.6 1.0 CB A:HIS442 4.0 101.6 1.0 O5 A:CIT601 4.1 119.2 1.0 NE2 A:HIS442 4.2 103.3 1.0 C4 A:CIT601 4.3 119.3 1.0 CD2 A:HIS442 4.5 103.0 1.0 C1 A:CIT601 4.5 119.6 1.0 O4 A:CIT601 4.5 118.0 1.0 CA A:HIS442 4.6 98.7 1.0 O1 A:CIT601 4.7 118.9 1.0 S2B A:ICS600 4.8 122.0 1.0 S5A A:ICS600 4.8 127.5 1.0 C5 A:CIT601 4.9 119.9 1.0 S3A A:ICS600 4.9 122.2 1.0

Molybdenum binding site 2 out of 2 in the Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Homocitrate-Deficient Nitrogenase Mofe-Protein From A. Vinelandii Nifv Knockout in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo600 b:170.2 occ:1.00 MO1 C:ICS600 0.0 170.2 1.0 S4B C:ICS600 2.4 148.9 1.0 S1B C:ICS600 2.4 149.7 1.0 S3B C:ICS600 2.4 147.2 1.0 FE6 C:ICS600 2.7 159.5 1.0 FE7 C:ICS600 2.7 163.7 1.0 FE5 C:ICS600 2.7 159.7 1.0 ND1 C:HIS442 2.7 117.6 1.0 CG C:HIS442 3.4 117.6 1.0 CB C:HIS442 3.5 114.2 1.0 CX C:ICS600 3.6 148.3 1.0 CE1 C:HIS442 3.7 117.0 1.0 CA C:HIS442 4.1 111.8 1.0 O C:HIS442 4.4 108.7 1.0 CD2 C:HIS442 4.6 118.5 1.0 C C:HIS442 4.7 109.9 1.0 NE2 C:HIS442 4.7 116.8 1.0 S2B C:ICS600 4.8 145.8 1.0 S5A C:ICS600 4.8 143.9 1.0 NE C:ARG96 4.9 71.1 1.0 S3A C:ICS600 4.9 144.8 1.0

R.A.Warmack, A.O.Maggiolo, A.Orta, B.B.Wenke, J.B.Howard, D.C.Rees. Structural Consequences of Turnover-Induced Homocitrate Loss in Nitrogenase. Nat Commun V. 14 1091 2023.
ISSN: ESSN 2041-1723
PubMed: 36841829
DOI: 10.1038/S41467-023-36636-4