Magnesium in PDB 4fwi: Crystal Structure of the Nucleotide-Binding Domain of A Dipeptide Abc Transporter

The structure of Crystal Structure of the Nucleotide-Binding Domain of A Dipeptide Abc Transporter, PDB code: 4fwi was solved by X.Li, J.Ge, M.Yang, N.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.81 / 2.89
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.247, 64.247, 320.608, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26.8

The structure of Crystal Structure of the Nucleotide-Binding Domain of A Dipeptide Abc Transporter also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Nucleotide-Binding Domain of A Dipeptide Abc Transporter (pdb code 4fwi). 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 the Nucleotide-Binding Domain of A Dipeptide Abc Transporter, PDB code: 4fwi:

Magnesium binding site 1 out of 1 in the Crystal Structure of the Nucleotide-Binding Domain of A Dipeptide Abc Transporter


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 Nucleotide-Binding Domain of A Dipeptide Abc Transporter within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:67.6 occ:1.00 OG B:SER48 2.3 35.9 1.0 OE1 B:GLN97 2.3 59.0 1.0 O2G B:ATP402 2.6 31.6 1.0 O1B B:ATP402 2.7 51.3 1.0 CD B:GLN97 2.9 74.4 1.0 OD2 B:ASP179 3.0 69.7 1.0 OE2 B:GLU180 3.3 68.7 1.0 NE2 B:GLN97 3.6 63.1 1.0 CB B:SER48 3.7 21.9 1.0 PB B:ATP402 3.7 51.5 1.0 CG B:GLN97 3.7 81.6 1.0 N B:SER48 3.8 50.8 1.0 CG1 B:VAL211 3.9 49.4 1.0 CG B:ASP179 3.9 65.9 1.0 PG B:ATP402 3.9 36.5 0.0 CB B:LYS47 4.0 61.3 1.0 O3B B:ATP402 4.1 27.5 1.0 O2B B:ATP402 4.1 36.6 1.0 CD B:GLU180 4.1 78.8 1.0 NZ B:LYS47 4.1 55.0 1.0 CA B:SER48 4.1 49.2 1.0 OD1 B:ASP179 4.2 67.4 1.0 CE B:LYS47 4.3 56.7 1.0 O3G B:ATP402 4.5 29.1 1.0 CB B:GLU180 4.6 91.7 1.0 CD B:LYS47 4.6 46.4 1.0 C B:LYS47 4.6 54.3 1.0 CG B:GLU180 4.8 88.5 1.0 OE1 B:GLU180 4.8 87.7 1.0 CA B:LYS47 4.9 52.6 1.0 CG B:LYS47 5.0 48.7 1.0

X.Li, W.Zhuo, J.Yu, J.Ge, J.Gu, Y.Feng, M.Yang, L.Wang, N.Wang. Structure of the Nucleotide-Binding Domain of A Dipeptide Abc Transporter Reveals A Novel Iron-Sulfur Cluster-Binding Domain Acta Crystallogr.,Sect.D V. 69 256 2013.
ISSN: ISSN 0907-4449
PubMed: 23385461
DOI: 10.1107/S0907444912045180