Magnesium in PDB 4pl0: Crystal Structure of the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State

The structure of Crystal Structure of the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State, PDB code: 4pl0 was solved by H.G.Choudhury, K.Beis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.96 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.830, 107.920, 232.960, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 26.6

The binding sites of Magnesium atom in the Crystal Structure of the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State (pdb code 4pl0). 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 the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State, PDB code: 4pl0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State


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 the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:69.8 occ:1.00 OG A:SER385 1.9 92.3 1.0 OE1 A:GLN426 2.0 82.6 1.0 O3G A:ANP601 2.0 93.9 1.0 O2B A:ANP601 2.6 98.5 1.0 CD A:GLN426 3.0 84.9 1.0 CB A:SER385 3.1 87.6 1.0 PG A:ANP601 3.1 92.5 1.0 PB A:ANP601 3.4 97.4 1.0 N3B A:ANP601 3.6 92.6 1.0 NE2 A:GLN426 3.6 81.2 1.0 OD2 A:ASP505 3.7 83.4 1.0 O2A A:ANP601 3.7 0.4 1.0 OD1 A:ASP505 3.7 76.2 1.0 N A:SER385 3.8 86.0 1.0 O3A A:ANP601 3.9 98.7 1.0 O2G A:ANP601 3.9 91.8 1.0 CA A:SER385 4.0 85.1 1.0 CG A:GLN426 4.1 59.9 1.0 CG A:ASP505 4.2 77.6 1.0 OE1 A:GLU506 4.3 99.3 1.0 PA A:ANP601 4.3 99.0 1.0 O1G A:ANP601 4.5 94.0 1.0 O1A A:ANP601 4.6 96.0 1.0 CB A:LYS384 4.8 82.9 1.0 N B:GLY483 4.8 81.7 1.0 CE A:LYS384 4.9 85.6 1.0 O1B A:ANP601 4.9 99.6 1.0 C A:LYS384 4.9 87.8 1.0 CB A:GLN426 5.0 71.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State


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 the Antibacterial Peptide Abc Transporter Mcjd in An Outward Occluded State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:68.8 occ:1.00 OG B:SER385 1.9 85.6 1.0 O3G B:ANP601 2.0 87.2 1.0 O2B B:ANP601 2.1 87.1 1.0 OE1 B:GLN426 2.3 84.2 1.0 CB B:SER385 3.0 78.2 1.0 PB B:ANP601 3.1 85.6 1.0 PG B:ANP601 3.2 84.8 1.0 CD B:GLN426 3.3 90.0 1.0 N3B B:ANP601 3.5 81.5 1.0 N B:SER385 3.6 74.5 1.0 O3A B:ANP601 3.7 86.9 1.0 OD2 B:ASP505 3.8 81.5 1.0 OD1 B:ASP505 3.9 66.1 1.0 CA B:SER385 3.9 73.9 1.0 O2A B:ANP601 3.9 91.2 1.0 NE2 B:GLN426 3.9 82.2 1.0 PA B:ANP601 4.2 86.4 1.0 CG B:ASP505 4.3 71.8 1.0 O1G B:ANP601 4.3 88.2 1.0 O2G B:ANP601 4.3 87.7 1.0 CG B:GLN426 4.4 68.7 1.0 OE1 B:GLU506 4.4 0.5 1.0 O1A B:ANP601 4.5 82.0 1.0 O1B B:ANP601 4.5 89.0 1.0 CB B:LYS384 4.6 71.8 1.0 CE B:LYS384 4.6 75.6 1.0 C B:LYS384 4.7 75.8 1.0 N B:LYS384 4.9 69.5 1.0 CA B:LYS384 5.0 69.8 1.0

H.G.Choudhury, Z.Tong, I.Mathavan, Y.Li, S.Iwata, S.Zirah, S.Rebuffat, H.W.Van Veen, K.Beis. Structure of An Antibacterial Peptide Atp-Binding Cassette Transporter in A Novel Outward Occluded State. Proc.Natl.Acad.Sci.Usa V. 111 9145 2014.
ISSN: ESSN 1091-6490
PubMed: 24920594
DOI: 10.1073/PNAS.1320506111