Magnesium in PDB 4qc2: Crystal Structure of Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions

The structure of Crystal Structure of Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions, PDB code: 4qc2 was solved by Z.Wang, Q.Xiang, X.Zhu, H.Dong, C.He, H.Wang, Y.Zhang, W.Wang, C.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.81 / 2.22
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	85.160, 125.760, 89.610, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 24.8

The binding sites of Magnesium atom in the Crystal Structure of Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions (pdb code 4qc2). 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 Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions, PDB code: 4qc2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions


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 Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:20.0 occ:1.00 O A:HOH491 1.9 20.6 1.0 OE1 A:GLN85 2.0 20.5 1.0 OG1 A:THR43 2.0 20.8 1.0 O2G A:ATP301 2.2 19.8 1.0 O1B A:ATP301 2.2 20.8 1.0 O A:HOH490 2.3 20.6 1.0 CD A:GLN85 3.0 20.9 1.0 CB A:THR43 3.1 22.8 1.0 NE2 A:GLN85 3.3 22.4 1.0 PB A:ATP301 3.3 20.4 1.0 PG A:ATP301 3.6 26.9 1.0 O3B A:ATP301 3.8 19.8 1.0 OD1 A:ASP162 3.9 34.4 1.0 O1A A:ATP301 4.0 19.5 1.0 O A:HOH467 4.1 30.4 1.0 N A:THR43 4.1 22.2 1.0 CG2 A:THR43 4.2 20.1 1.0 CA A:THR43 4.2 22.6 1.0 OD2 A:ASP162 4.2 29.6 1.0 OE2 A:GLU163 4.3 26.4 1.0 O3A A:ATP301 4.3 20.6 1.0 CG A:GLN85 4.3 21.8 1.0 O A:HOH457 4.4 17.2 1.0 CG A:ASP162 4.5 31.9 1.0 O1G A:ATP301 4.6 19.9 1.0 PA A:ATP301 4.6 23.9 1.0 O2B A:ATP301 4.6 22.5 1.0 CB A:GLN85 4.7 23.7 1.0 O3G A:ATP301 4.8 17.6 1.0 CD A:GLU163 4.9 26.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions


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 Lipopolysaccharide Transport Protein Lptb in Complex with Atp and Magnesium Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:38.6 occ:1.00 O B:HOH452 2.0 38.0 1.0 O1B B:ATP301 2.0 47.6 1.0 O B:HOH453 2.1 49.6 1.0 OG1 B:THR43 2.1 32.8 1.0 OE1 B:GLN85 2.2 26.3 1.0 O2G B:ATP301 2.2 45.1 1.0 CD B:GLN85 3.0 29.6 1.0 CB B:THR43 3.1 37.1 1.0 NE2 B:GLN85 3.3 26.5 1.0 PB B:ATP301 3.3 41.2 1.0 PG B:ATP301 3.5 59.8 1.0 O3B B:ATP301 3.6 39.3 1.0 O2A B:ATP301 3.8 39.9 1.0 OE2 B:GLU163 4.0 37.6 1.0 OD1 B:ASP162 4.0 40.2 1.0 N B:THR43 4.1 40.8 1.0 CA B:THR43 4.2 34.7 1.0 O3A B:ATP301 4.2 33.5 1.0 OD2 B:ASP162 4.2 40.1 1.0 CG2 B:THR43 4.2 30.4 1.0 O1G B:ATP301 4.4 50.0 1.0 CG B:GLN85 4.4 29.3 1.0 O B:HOH420 4.4 34.2 1.0 O2B B:ATP301 4.5 45.5 1.0 CG B:ASP162 4.5 40.3 1.0 PA B:ATP301 4.6 41.7 1.0 O3G B:ATP301 4.6 40.8 1.0 CD B:GLU163 4.8 36.4 1.0 CB B:GLN85 4.8 32.4 1.0

Z.Wang, Q.Xiang, X.Zhu, H.Dong, C.He, H.Wang, Y.Zhang, W.Wang, C.Dong. Structural and Functional Studies of Conserved Nucleotide-Binding Protein Lptb in Lipopolysaccharide Transport. Biochem.Biophys.Res.Commun. V. 452 443 2014.
ISSN: ISSN 0006-291X
PubMed: 25172661
DOI: 10.1016/J.BBRC.2014.08.094