Magnesium in PDB 5lil: Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21)

The structure of Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21), PDB code: 5lil was solved by A.Crow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.95 / 3.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.587, 82.621, 124.920, 90.00, 94.45, 90.00
R / Rfree (%)	24.4 / 29

The binding sites of Magnesium atom in the Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21) (pdb code 5lil). 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 Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21), PDB code: 5lil:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:54.2 occ:1.00 OE1 A:GLN92 1.9 61.9 1.0 OG A:SER47 2.0 55.5 1.0 O2G A:ATP701 2.4 50.8 1.0 O A:HOH801 2.4 66.9 1.0 CD A:GLN92 2.6 59.4 1.0 O2B A:ATP701 2.6 56.5 1.0 O A:HOH802 2.7 53.2 1.0 NE2 A:GLN92 3.2 61.1 1.0 HE22 A:GLN92 3.3 73.4 1.0 HG3 A:GLN92 3.4 67.3 1.0 OD2 A:ASP168 3.4 63.3 1.0 CB A:SER47 3.4 55.7 1.0 CG A:GLN92 3.5 56.1 1.0 PG A:ATP701 3.6 48.5 1.0 HB2 A:SER47 3.8 66.8 1.0 PB A:ATP701 3.8 59.2 1.0 HB2 A:GLN92 3.8 73.5 1.0 HB3 A:SER47 3.8 66.8 1.0 OD1 A:ASP168 3.8 59.7 1.0 H A:SER47 3.9 75.0 1.0 HE21 A:GLN169 3.9 65.1 1.0 HE21 A:GLN92 4.0 73.4 1.0 CG A:ASP168 4.0 62.3 1.0 HG3 A:GLN169 4.1 63.2 1.0 O3G A:ATP701 4.1 59.7 1.0 O3B A:ATP701 4.1 56.3 1.0 CB A:GLN92 4.2 61.2 1.0 NE2 A:GLN169 4.2 54.2 1.0 HH21 A:ARG93 4.2 93.7 1.0 O3A A:ATP701 4.2 70.8 1.0 H B:GLY146 4.3 73.2 1.0 HG2 A:GLN92 4.3 67.3 1.0 HB3 A:GLN92 4.4 73.5 1.0 CA A:SER47 4.4 63.3 1.0 N A:SER47 4.4 62.5 1.0 HA A:SER47 4.4 76.0 1.0 HE22 A:GLN169 4.5 65.1 1.0 HB2 B:SER145 4.5 72.9 1.0 HG11 A:VAL199 4.6 72.1 1.0 HB2 A:LYS46 4.7 75.6 1.0 CD A:GLN169 4.7 56.8 1.0 HE2 A:LYS46 4.9 69.4 1.0 CG A:GLN169 4.9 52.7 1.0 O1G A:ATP701 4.9 48.4 1.0 NH2 A:ARG93 5.0 78.0 1.0

Magnesium binding site 2 out of 2 in the Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Aggregatibacter Actinomycetemcomitans Macb Bound to Atpys (P21) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:60.5 occ:1.00 OG B:SER47 2.0 49.6 1.0 OE1 B:GLN92 2.0 55.0 1.0 O1G B:ATP701 2.1 60.6 1.0 O B:HOH801 2.3 55.6 1.0 O1B B:ATP701 2.3 58.9 1.0 O B:HOH802 2.3 49.7 1.0 CD B:GLN92 2.7 59.6 1.0 HE22 B:GLN92 3.2 74.8 1.0 NE2 B:GLN92 3.3 62.3 1.0 CB B:SER47 3.3 46.4 1.0 PG B:ATP701 3.5 57.9 1.0 OD2 B:ASP168 3.5 50.9 1.0 HB2 B:SER47 3.6 55.7 1.0 HG3 B:GLN92 3.6 68.8 1.0 HE21 B:GLN169 3.6 70.0 1.0 CG B:GLN92 3.7 57.4 1.0 PB B:ATP701 3.7 53.0 1.0 HB3 B:SER47 3.7 55.7 1.0 OD1 B:ASP168 3.7 56.0 1.0 HB2 B:GLN92 3.8 67.3 1.0 H B:SER47 3.9 70.8 1.0 HE21 B:GLN92 4.0 74.8 1.0 CG B:ASP168 4.0 51.6 1.0 O3B B:ATP701 4.0 54.9 1.0 HG3 B:GLN169 4.1 63.2 1.0 O2G B:ATP701 4.1 55.0 1.0 H A:GLY146 4.1 69.8 1.0 NE2 B:GLN169 4.2 58.3 1.0 CB B:GLN92 4.2 56.1 1.0 HH21 B:ARG93 4.2 87.2 1.0 HB2 A:SER145 4.3 72.9 1.0 CA B:SER47 4.3 56.3 1.0 HB3 B:GLN92 4.4 67.3 1.0 N B:SER47 4.4 59.0 1.0 HA B:SER47 4.4 67.5 1.0 HG2 B:GLN92 4.5 68.8 1.0 HE22 B:GLN169 4.5 70.0 1.0 O1A B:ATP701 4.6 62.2 1.0 O3G B:ATP701 4.6 54.8 1.0 O3A B:ATP701 4.7 60.3 1.0 HG11 B:VAL199 4.7 54.8 1.0 O2B B:ATP701 4.8 55.0 1.0 HB2 B:LYS46 4.8 68.0 1.0 N A:GLY146 4.9 58.2 1.0 HE2 B:LYS46 4.9 64.3 1.0 CG B:GLN169 4.9 52.7 1.0 CD B:GLN169 4.9 61.5 1.0 HA3 A:GLY146 4.9 66.0 1.0 H A:GLY147 5.0 69.4 1.0

A.Crow, N.P.Greene, E.Kaplan, V.Koronakis. Structure and Mechanotransmission Mechanism of the Macb Abc Transporter Superfamily. Proc. Natl. Acad. Sci. V. 114 12572 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29109272
DOI: 10.1073/PNAS.1712153114