Magnesium in PDB 4ki0: Crystal Structure of the Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose

The structure of Crystal Structure of the Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose, PDB code: 4ki0 was solved by M.L.Oldham, S.Chen, J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 2.38
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	81.592, 96.631, 112.321, 85.30, 79.11, 73.00
R / Rfree (%)	19.2 / 22.8

The binding sites of Magnesium atom in the Crystal Structure of the Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose (pdb code 4ki0). 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 Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose, PDB code: 4ki0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose


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 Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:57.8 occ:1.00 O A:HOH1709 1.9 61.3 1.0 O1G A:ANP1502 1.9 55.1 1.0 OE1 A:GLN82 2.0 56.2 1.0 O A:HOH1707 2.1 49.5 1.0 O2B A:ANP1502 2.1 60.3 1.0 OG A:SER43 2.2 55.3 1.0 CD A:GLN82 3.0 56.3 1.0 PG A:ANP1502 3.1 55.4 1.0 PB A:ANP1502 3.3 60.4 1.0 CB A:SER43 3.3 59.5 1.0 NE2 A:GLN82 3.4 60.0 1.0 N3B A:ANP1502 3.5 57.7 1.0 O3G A:ANP1502 3.7 57.6 1.0 OD1 A:ASP158 3.8 59.8 1.0 O1A A:ANP1502 3.9 62.6 1.0 OE2 A:GLU159 3.9 64.6 1.0 OD2 A:ASP158 4.0 61.4 1.0 N A:SER43 4.1 61.6 1.0 CA A:SER43 4.3 58.9 1.0 CG A:ASP158 4.3 60.6 1.0 O2G A:ANP1502 4.4 57.0 1.0 O3A A:ANP1502 4.4 60.8 1.0 CG A:GLN82 4.4 58.3 1.0 O1B A:ANP1502 4.4 59.6 1.0 N B:GLY136 4.5 55.4 1.0 PA A:ANP1502 4.6 60.5 1.0 CB A:GLN82 4.7 56.8 1.0 CD A:GLU159 4.8 63.6 1.0 CE A:LYS42 5.0 55.8 1.0 O2A A:ANP1502 5.0 61.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose


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 Maltose-Binding Protein/Maltose Transporter Complex in An Outward-Facing Conformation Bound to Maltohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:59.4 occ:1.00 O1G B:ANP402 1.8 58.2 1.0 O2B B:ANP402 1.8 60.5 1.0 O B:HOH503 2.0 57.1 1.0 O B:HOH504 2.2 60.4 1.0 OE1 B:GLN82 2.2 57.3 1.0 OG B:SER43 2.3 59.8 1.0 PG B:ANP402 3.0 58.8 1.0 PB B:ANP402 3.0 64.9 1.0 CD B:GLN82 3.1 57.1 1.0 NE2 B:GLN82 3.3 59.6 1.0 N3B B:ANP402 3.3 61.3 1.0 CB B:SER43 3.3 60.5 1.0 O3G B:ANP402 3.6 60.1 1.0 O1A B:ANP402 3.8 63.5 1.0 OE2 B:GLU159 4.0 64.5 1.0 OD1 B:ASP158 4.1 64.5 1.0 O3A B:ANP402 4.1 64.5 1.0 O1B B:ANP402 4.1 68.3 1.0 N B:SER43 4.2 64.1 1.0 OD2 B:ASP158 4.2 67.2 1.0 O2G B:ANP402 4.3 59.7 1.0 CA B:SER43 4.4 62.5 1.0 N A:GLY136 4.4 58.6 1.0 PA B:ANP402 4.5 67.3 1.0 CG B:GLN82 4.5 52.7 1.0 CG B:ASP158 4.6 66.2 1.0 CD B:GLU159 4.7 68.0 1.0 CB A:SER135 4.8 58.2 1.0 CE B:LYS42 4.9 62.9 1.0 CB B:GLN82 5.0 54.9 1.0

M.L.Oldham, S.Chen, J.Chen. Structural Basis For Substrate Specificity in the Escherichia Coli Maltose Transport System. Proc.Natl.Acad.Sci.Usa V. 110 18132 2013.
ISSN: ISSN 0027-8424
PubMed: 24145421
DOI: 10.1073/PNAS.1311407110