Magnesium in PDB 6x3c: Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47)

The structure of Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47), PDB code: 6x3c was solved by H.A.Chaires, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.14 / 3.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.540, 105.620, 178.200, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 26.6

The structure of Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47) also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Magnesium atom in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47) (pdb code 6x3c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47), PDB code: 6x3c:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47)


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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:33.1 occ:1.00 O C:ASN164 2.2 81.4 1.0 O D:ASN164 2.4 55.6 1.0 O B:ASN164 2.6 58.1 1.0 HD2 B:PRO165 3.1 49.5 1.0 C C:ASN164 3.3 80.9 1.0 C B:ASN164 3.3 57.5 1.0 H B:ASN164 3.4 56.8 1.0 H D:ASN164 3.4 56.8 1.0 C D:ASN164 3.4 54.9 1.0 HD2 C:PRO165 3.5 65.8 1.0 H C:ASN164 3.5 80.9 1.0 HD2 D:PRO165 3.6 59.9 1.0 CD B:PRO165 3.8 52.7 1.0 N B:PRO165 3.9 51.5 1.0 N B:ASN164 4.1 56.0 1.0 N C:PRO165 4.1 62.2 1.0 N D:ASN164 4.1 54.7 1.0 CD C:PRO165 4.1 65.3 1.0 N C:ASN164 4.2 80.0 1.0 N D:PRO165 4.2 55.5 1.0 HB3 C:ASN164 4.3 77.7 1.0 CD D:PRO165 4.3 55.9 1.0 CA C:ASN164 4.3 78.0 1.0 HD3 B:PRO165 4.3 49.5 1.0 CA B:ASN164 4.3 56.7 1.0 CA D:ASN164 4.3 54.4 1.0 HB3 D:ASN164 4.4 56.7 1.0 HD3 C:PRO165 4.4 65.8 1.0 O B:PRO165 4.5 49.7 1.0 HD3 D:PRO165 4.6 59.9 1.0 HB3 B:ASN164 4.7 58.5 1.0 HG2 B:PRO165 4.8 49.8 1.0 CB C:ASN164 4.8 73.6 1.0 HA3 B:GLY163 4.9 59.4 1.0 O D:PRO165 4.9 54.9 1.0 CB D:ASN164 4.9 54.7 1.0 CG B:PRO165 4.9 52.9 1.0 HA3 D:GLY163 5.0 50.4 1.0 O C:PRO165 5.0 64.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F1037 (47) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg303 b:33.1 occ:1.00 O E:ASN164 2.1 64.2 1.0 O A:ASN164 2.5 62.3 1.0 O F:ASN164 2.7 52.0 1.0 HD2 E:PRO165 3.0 55.1 1.0 C E:ASN164 3.0 62.4 1.0 H E:ASN164 3.1 60.8 1.0 H F:ASN164 3.2 58.2 1.0 HD2 A:PRO165 3.5 47.7 1.0 C A:ASN164 3.5 62.2 1.0 C F:ASN164 3.6 53.4 1.0 H A:ASN164 3.6 63.2 1.0 N E:PRO165 3.7 54.0 1.0 CD E:PRO165 3.7 55.5 1.0 HD2 F:PRO165 3.8 47.8 1.0 N E:ASN164 3.8 59.2 1.0 CA E:ASN164 4.0 59.4 1.0 N F:ASN164 4.0 55.2 1.0 HD3 E:PRO165 4.1 55.1 1.0 HB3 E:ASN164 4.2 59.6 1.0 N A:PRO165 4.2 45.6 1.0 CD A:PRO165 4.2 48.2 1.0 HB3 A:ASN164 4.3 62.3 1.0 N A:ASN164 4.3 62.7 1.0 HB3 F:ASN164 4.3 56.4 1.0 N F:PRO165 4.3 51.3 1.0 CA F:ASN164 4.3 54.2 1.0 CA A:ASN164 4.4 62.0 1.0 O E:PRO165 4.4 51.6 1.0 CD F:PRO165 4.5 50.5 1.0 HD3 A:PRO165 4.7 47.7 1.0 CB E:ASN164 4.7 58.5 1.0 HA E:ASN164 4.8 60.9 1.0 O F:PRO165 4.8 53.8 1.0 HA3 F:GLY163 4.8 62.6 1.0 HG2 E:PRO165 4.8 53.4 1.0 HA3 E:GLY163 4.8 69.1 1.0 CB F:ASN164 4.9 52.2 1.0 CB A:ASN164 4.9 61.8 1.0 CG E:PRO165 4.9 54.1 1.0 C E:GLY163 4.9 68.7 1.0 HD3 F:PRO165 5.0 47.8 1.0 CA E:PRO165 5.0 51.6 1.0 HA2 F:GLY163 5.0 62.6 1.0

Q.Li, J.Pellegrino, D.J.Lee, A.A.Tran, H.A.Chaires, R.Wang, J.E.Park, K.Ji, D.Chow, N.Zhang, A.F.Brilot, J.T.Biel, G.Van Zundert, K.Borrelli, D.Shinabarger, C.Wolfe, B.Murray, M.P.Jacobson, E.Muhle, O.Chesneau, J.S.Fraser, I.B.Seiple. Synthetic Group A Streptogramin Antibiotics That Overcome Vat Resistance. Nature V. 586 145 2020.
ISSN: ESSN 1476-4687
PubMed: 32968273
DOI: 10.1038/S41586-020-2761-3