Sodium in PDB 6qli: Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate

All present enzymatic activity of Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate:
2.5.1.129;

The structure of Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate, PDB code: 6qli was solved by S.A.Marshall, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.97 / 1.99
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	142.499, 142.499, 142.499, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.3

The binding sites of Sodium atom in the Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate (pdb code 6qli). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate, PDB code: 6qli:

Sodium binding site 1 out of 1 in the Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of F181Q Ubix in Complex with Fmn and Dimethylallyl Monophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:31.1 occ:1.00 O A:HOH450 2.4 29.2 1.0 OD1 A:ASN117 2.5 37.6 0.6 OD1 A:ASN117 2.5 37.6 0.4 O A:CYS116 3.3 41.5 0.4 CG A:ASN117 3.5 46.3 0.6 CG A:ASN117 3.6 46.1 0.4 C A:CYS116 3.9 35.7 0.4 O A:CYS116 3.9 43.1 0.6 C A:CYS116 4.1 35.7 0.6 CA A:ASN117 4.2 29.6 0.6 CA A:ASN117 4.2 29.7 0.4 N A:ASN117 4.3 26.4 0.4 N A:ASN117 4.3 26.1 0.6 ND2 A:ASN117 4.3 37.9 0.6 ND2 A:ASN117 4.4 37.9 0.4 CB A:ASN117 4.5 31.4 0.6 CB A:ASN117 4.5 31.4 0.4 N A:CYS116 4.5 28.3 0.4 N A:CYS116 4.6 28.3 0.6 O A:HOH541 4.7 28.1 1.0 CA A:CYS116 4.8 32.1 0.4 CA A:CYS116 4.9 32.1 0.6

S.A.Marshall, K.A.P.Payne, K.Fisher, M.D.White, A.Ni Cheallaigh, A.Balaikaite, S.E.J.Rigby, D.Leys. The Ubix Flavin Prenyltransferase Reaction Mechanism Resembles Class I Terpene Cyclase Chemistry. Nat Commun V. 10 2357 2019.
ISSN: ESSN 2041-1723
PubMed: 31142738
DOI: 10.1038/S41467-019-10220-1