Magnesium in PDB 8h6s: Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks

The structure of Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks, PDB code: 8h6s was solved by K.Kawada, A.Miyanaga, T.Chisuga, F.Kudo, T.Eguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.01 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.363, 90.626, 113.511, 90, 90, 90
R / Rfree (%)	21 / 26.8

The binding sites of Magnesium atom in the Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks (pdb code 8h6s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks, PDB code: 8h6s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:58.7 occ:1.00 OG A:SER266 2.1 41.9 1.0 OD1 A:ASP247 2.4 53.5 1.0 OD2 A:ASP247 2.5 54.5 1.0 CG A:ASP247 2.7 50.8 1.0 OE2 A:GLU109 2.8 39.2 1.0 CB A:SER266 3.2 45.0 1.0 OE1 A:GLN248 3.2 65.0 1.0 CA A:SER266 3.4 47.4 1.0 O A:ARG269 3.5 41.0 1.0 CG A:GLN248 3.5 66.3 1.0 CD A:GLN248 3.8 68.1 1.0 CD A:GLU109 3.9 40.4 1.0 N A:SER266 3.9 51.7 1.0 CB A:ASP247 4.1 47.2 1.0 N A:GLN248 4.1 52.0 1.0 O A:MET262 4.2 53.0 1.0 OE1 A:GLU109 4.3 40.5 1.0 CA A:GLN248 4.5 54.7 1.0 CB A:GLN248 4.6 57.6 1.0 C A:ASP247 4.6 48.4 1.0 C A:GLU265 4.6 50.2 1.0 C A:ARG269 4.7 50.2 1.0 C A:SER266 4.7 44.6 1.0 CA A:ASP247 4.7 46.8 1.0 O A:SER266 4.9 46.3 1.0 O A:GLU265 4.9 47.8 1.0 O A:PRO270 5.0 48.6 1.0 N A:ASP247 5.0 48.2 1.0 C A:PRO270 5.0 47.6 1.0

Magnesium binding site 2 out of 2 in the Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Acyltransferase Vink in Complex with the Loading Acyl Carrier Protein of Vicenistatin Pks within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:37.8 occ:1.00 OG B:SER266 1.9 61.5 1.0 OD1 B:ASP247 2.4 76.8 1.0 OD2 B:ASP247 2.4 64.8 1.0 OE2 B:GLU109 2.6 57.9 1.0 CG B:ASP247 2.6 68.7 1.0 O B:HOH503 3.0 27.5 1.0 CB B:SER266 3.1 61.2 1.0 OE1 B:GLN248 3.2 94.7 1.0 CA B:SER266 3.4 61.1 1.0 CG B:GLN248 3.7 81.7 1.0 CD B:GLU109 3.7 62.3 1.0 O B:ARG269 3.7 63.2 1.0 CD B:GLN248 3.9 88.6 1.0 N B:SER266 3.9 61.7 1.0 CB B:ASP247 4.0 66.2 1.0 O B:MET262 4.1 74.5 1.0 OE1 B:GLU109 4.1 60.2 1.0 N B:GLN248 4.2 64.5 1.0 C B:ASP247 4.7 59.2 1.0 C B:GLU265 4.7 63.7 1.0 C B:SER266 4.7 59.6 1.0 CA B:GLN248 4.7 72.1 1.0 CA B:ASP247 4.7 63.6 1.0 CB B:GLN248 4.8 74.6 1.0 C B:ARG269 4.9 64.7 1.0 N B:ASP247 4.9 62.4 1.0 O B:SER266 4.9 55.0 1.0 CG B:GLU109 5.0 63.4 1.0

A.Miyanaga, K.Kawada, T.Chisuga, F.Kudo, T.Eguchi. Structural Basis of Transient Interactions of Acyltransferase Vink with the Loading Acyl Carrier Protein of the Vicenistatin Modular Polyketide Synthase. Biochemistry 2022.
ISSN: ISSN 0006-2960
PubMed: 36512613
DOI: 10.1021/ACS.BIOCHEM.2C00645