Magnesium in PDB 6ui4: Crystal Structure of Phenamacril-Bound F. Graminearum Myosin I

The structure of Crystal Structure of Phenamacril-Bound F. Graminearum Myosin I, PDB code: 6ui4 was solved by Y.Zhou, X.E.Zhou, Y.Gong, Y.Zhu, H.E.Xu, M.Zhou, K.Melcher, F.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.91 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.502, 100.311, 165.615, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.4

The binding sites of Magnesium atom in the Crystal Structure of Phenamacril-Bound F. Graminearum Myosin I (pdb code 6ui4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Phenamacril-Bound F. Graminearum Myosin I, PDB code: 6ui4:

Magnesium binding site 1 out of 1 in the Crystal Structure of Phenamacril-Bound F. Graminearum Myosin I


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Phenamacril-Bound F. Graminearum Myosin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:57.7 occ:1.00 O A:HOH904 2.1 53.6 1.0 O A:HOH902 2.1 56.9 1.0 O1B A:AGS803 2.1 59.1 1.0 O2G A:AGS803 2.1 58.5 1.0 OG A:SER188 2.1 56.7 1.0 OG1 A:THR138 2.1 56.9 1.0 CB A:SER188 3.0 53.9 1.0 CB A:THR138 3.1 51.0 1.0 PB A:AGS803 3.2 57.0 1.0 PG A:AGS803 3.2 58.4 1.0 O3B A:AGS803 3.3 69.5 1.0 N A:SER188 3.6 63.0 1.0 O1A A:AGS803 3.8 64.6 1.0 CA A:SER188 3.9 62.8 1.0 OD1 A:ASP407 4.0 65.6 1.0 N A:THR138 4.0 59.2 1.0 CG2 A:THR138 4.1 53.3 1.0 CA A:THR138 4.1 59.3 1.0 O3G A:AGS803 4.1 57.9 1.0 O2B A:AGS803 4.2 53.4 1.0 O3A A:AGS803 4.3 58.5 1.0 OD2 A:ASP407 4.4 77.4 1.0 O A:HOH907 4.4 55.6 1.0 PA A:AGS803 4.4 59.4 1.0 O A:ASN186 4.5 67.6 1.0 O2A A:AGS803 4.5 58.9 1.0 S1G A:AGS803 4.6 77.8 1.0 CG A:ASP407 4.6 0.0 1.0 O A:ILE408 4.7 55.8 1.0 C A:SER187 4.7 57.4 1.0 ND2 A:ASN184 4.8 60.7 1.0 ND2 A:ASN178 5.0 70.4 1.0

Y.Zhou, X.E.Zhou, Y.Gong, Y.Zhu, X.Cao, J.S.Brunzelle, H.E.Xu, M.Zhou, K.Melcher, F.Zhang. Structural Basis of Fusarium Myosin I Inhibition By Phenamacril. Plos Pathog. V. 16 08323 2020.
ISSN: ESSN 1553-7374
PubMed: 32163521
DOI: 10.1371/JOURNAL.PPAT.1008323