Magnesium in PDB 8px9: Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A

The structure of Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A, PDB code: 8px9 was solved by K.El Omari, R.Duman, V.Mykhaylyk, C.Orr, K.Bountra, K.Beis, A.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.67 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.19, 109.32, 233.35, 90, 90, 90
R / Rfree (%)	29.2 / 33

The binding sites of Magnesium atom in the Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A (pdb code 8px9). 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 the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A, PDB code: 8px9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:148.4 occ:1.00 O3G A:ANP602 1.9 160.9 1.0 OG A:SER385 2.0 151.5 1.0 OE1 A:GLN426 2.0 159.4 1.0 O2B A:ANP602 2.2 151.8 1.0 CD A:GLN426 3.0 164.5 1.0 CB A:SER385 3.1 156.6 1.0 PG A:ANP602 3.1 152.1 1.0 PB A:ANP602 3.3 153.9 1.0 NE2 A:GLN426 3.4 176.2 1.0 N3B A:ANP602 3.5 146.5 1.0 O2A A:ANP602 3.7 153.3 1.0 O1G A:ANP602 3.8 139.8 1.0 O3A A:ANP602 3.8 163.5 1.0 OD1 A:ASP505 4.0 141.9 1.0 N A:SER385 4.1 150.5 1.0 CA A:SER385 4.1 154.7 1.0 OD2 A:ASP505 4.2 150.9 1.0 O2G A:ANP602 4.2 155.6 1.0 PA A:ANP602 4.3 151.2 1.0 CG A:GLN426 4.3 152.5 1.0 CG A:ASP505 4.5 146.8 1.0 N B:GLY483 4.5 149.8 1.0 CB B:SER482 4.6 158.7 1.0 O1B A:ANP602 4.7 149.7 1.0 O1A A:ANP602 4.7 147.4 1.0 CB A:GLN426 4.9 135.5 1.0 OE2 A:GLU506 4.9 171.3 1.0

Magnesium binding site 2 out of 2 in the Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Antibacterial Peptide Abc Transporter Mcjd, Solved at Wavelength 2.75 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:142.7 occ:1.00 OG B:SER385 2.0 126.2 1.0 O3G B:ANP600 2.0 151.1 1.0 O2B B:ANP600 2.0 143.4 1.0 OE1 B:GLN426 2.0 156.8 1.0 CB B:SER385 3.1 124.8 1.0 CD B:GLN426 3.1 159.7 1.0 PB B:ANP600 3.2 145.6 1.0 PG B:ANP600 3.3 140.0 1.0 NE2 B:GLN426 3.5 162.8 1.0 N3B B:ANP600 3.6 139.6 1.0 O2A B:ANP600 3.7 134.5 1.0 O3A B:ANP600 3.8 150.8 1.0 OD1 B:ASP505 4.0 138.9 1.0 O1G B:ANP600 4.1 149.6 1.0 N B:SER385 4.1 139.2 1.0 CA B:SER385 4.1 131.8 1.0 OD2 B:ASP505 4.2 142.4 1.0 PA B:ANP600 4.3 142.2 1.0 O2G B:ANP600 4.4 140.2 1.0 CG B:GLN426 4.4 147.7 1.0 CG B:ASP505 4.5 144.2 1.0 N A:GLY483 4.5 145.0 1.0 O1B B:ANP600 4.5 140.0 1.0 O1A B:ANP600 4.7 126.7 1.0 CB A:SER482 4.8 161.4 1.0 CB B:GLN426 4.9 136.9 1.0

K.El Omari, R.Duman, V.Mykhaylyk, C.M.Orr, M.Latimer-Smith, G.Winter, V.Grama, F.Qu, K.Bountra, H.S.Kwong, M.Romano, R.I.Reis, L.Vogeley, L.Vecchia, C.D.Owen, S.Wittmann, M.Renner, M.Senda, N.Matsugaki, Y.Kawano, T.A.Bowden, I.Moraes, J.M.Grimes, E.J.Mancini, M.A.Walsh, C.R.Guzzo, R.J.Owens, E.Y.Jones, D.G.Brown, D.I.Stuart, K.Beis, A.Wagner. Experimental Phasing Opportunities For Macromolecular Crystallography at Very Long Wavelengths. Commun Chem V. 6 219 2023.
ISSN: ESSN 2399-3669
PubMed: 37828292
DOI: 10.1038/S42004-023-01014-0