Magnesium in PDB 7m7a: Legionella Pneumophila Mavq Lipid Kinase

All present enzymatic activity of Legionella Pneumophila Mavq Lipid Kinase:
3.1.3.64;

The structure of Legionella Pneumophila Mavq Lipid Kinase, PDB code: 7m7a was solved by D.R.Tomchick, V.S.Tagliabracci, T.S.Hsieh, V.A.Lopez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.31 / 3.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	69.399, 210.235, 499.861, 90, 90, 90
R / Rfree (%)	24 / 28.3

The binding sites of Magnesium atom in the Legionella Pneumophila Mavq Lipid Kinase (pdb code 7m7a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Legionella Pneumophila Mavq Lipid Kinase, PDB code: 7m7a:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Legionella Pneumophila Mavq Lipid Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Legionella Pneumophila Mavq Lipid Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:57.7 occ:1.00 OD2 A:ASP162 2.0 53.9 1.0 OD1 A:ASP162 2.1 59.6 1.0 OD2 A:ASP160 2.2 68.2 1.0 CG A:ASP162 2.4 52.8 1.0 O2B A:ADP701 2.8 90.1 1.0 CG A:ASP160 3.0 62.2 1.0 OD1 A:ASP160 3.0 59.6 1.0 O1B A:ADP701 3.2 64.4 1.0 PB A:ADP701 3.3 99.1 1.0 O3A A:ADP701 3.4 86.4 1.0 OD2 A:ASP147 3.5 61.0 1.0 CB A:ASP162 3.8 45.5 1.0 H A:ASP162 4.0 77.4 1.0 HZ3 A:LYS46 4.1 74.5 1.0 HB3 A:ASP162 4.1 55.6 1.0 HZ1 A:LYS46 4.3 74.5 1.0 HB2 A:ASP162 4.3 55.6 1.0 CB A:ASP160 4.4 68.9 1.0 HD21 A:ASN152 4.4 89.8 1.0 HG3 A:MET163 4.4 47.4 1.0 NZ A:LYS46 4.5 61.3 1.0 PA A:ADP701 4.6 89.3 1.0 CG A:ASP147 4.6 60.4 1.0 HB3 A:ASP160 4.6 83.6 1.0 HB3 A:ASP147 4.6 76.6 1.0 N A:ASP162 4.6 63.7 1.0 OD1 A:ASN152 4.6 69.7 1.0 HZ2 A:LYS46 4.6 74.5 1.0 CA A:ASP162 4.7 55.7 1.0 HB2 A:MET163 4.7 64.7 1.0 HB2 A:ASP160 4.8 83.6 1.0 O3B A:ADP701 4.8 101.4 1.0 H A:MET163 4.8 74.8 1.0 O1A A:ADP701 4.8 74.0 1.0 HB2 A:ASP147 4.9 76.6 1.0 ND2 A:ASN152 4.9 74.0 1.0 O2A A:ADP701 4.9 87.0 1.0 CB A:ASP147 5.0 63.1 1.0

Magnesium binding site 2 out of 4 in the Legionella Pneumophila Mavq Lipid Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Legionella Pneumophila Mavq Lipid Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:62.8 occ:1.00 OD2 B:ASP162 2.1 67.6 1.0 OD1 B:ASP162 2.5 86.4 1.0 O2B B:ADP701 2.5 79.3 1.0 OD2 B:ASP160 2.5 80.4 1.0 CG B:ASP162 2.6 78.1 1.0 CG B:ASP160 3.4 79.3 1.0 OD2 B:ASP147 3.6 96.4 1.0 OD1 B:ASP160 3.6 82.3 1.0 HG3 B:MET163 3.7 90.7 1.0 HZ1 B:LYS46 3.8 99.7 1.0 PB B:ADP701 3.8 99.4 1.0 HZ3 B:LYS46 3.9 99.7 1.0 HZ2 B:LYS46 3.9 99.7 1.0 NZ B:LYS46 4.1 82.3 1.0 CB B:ASP162 4.1 70.7 1.0 O3A B:ADP701 4.2 97.7 1.0 SD B:MET163 4.4 81.6 1.0 O1B B:ADP701 4.4 70.9 1.0 HB2 B:ASP162 4.4 85.8 1.0 CG B:MET163 4.4 74.9 1.0 HB3 B:ASP162 4.5 85.8 1.0 H B:ASP162 4.6 106.5 1.0 CG B:ASP147 4.8 107.8 1.0 HB2 B:MET163 4.8 106.8 1.0 CB B:ASP160 4.8 81.9 1.0 HD21 B:ASN152 5.0 99.6 1.0 HB3 B:ASP160 5.0 99.2 1.0 O3B B:ADP701 5.0 86.4 1.0

Magnesium binding site 3 out of 4 in the Legionella Pneumophila Mavq Lipid Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Legionella Pneumophila Mavq Lipid Kinase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg702 b:58.3 occ:1.00 OD2 C:ASP160 2.3 76.7 1.0 OD2 C:ASP162 2.4 61.5 1.0 OD1 C:ASP162 2.7 63.8 1.0 CG C:ASP162 2.9 53.8 1.0 O3A C:ADP701 3.0 91.1 1.0 O1B C:ADP701 3.0 76.7 1.0 CG C:ASP160 3.1 77.7 1.0 OD1 C:ASP160 3.3 58.9 1.0 OD2 C:ASP147 3.3 81.0 1.0 O1A C:ADP701 3.5 93.0 1.0 PB C:ADP701 3.7 100.8 1.0 HE3 C:MET163 3.9 117.0 1.0 PA C:ADP701 3.9 98.0 1.0 HD21 C:ASN152 4.2 93.0 1.0 HG3 C:MET163 4.3 94.4 1.0 CB C:ASP162 4.3 55.9 1.0 CG C:ASP147 4.4 82.5 1.0 HZ1 C:LYS173 4.4 81.1 1.0 HB3 C:ASP147 4.5 102.3 1.0 H C:ASP162 4.5 79.2 1.0 CB C:ASP160 4.5 81.8 1.0 HB3 C:ASP162 4.6 68.0 1.0 HE2 C:HIS149 4.6 115.9 1.0 O2B C:ADP701 4.6 95.2 1.0 O3B C:ADP701 4.7 82.4 1.0 CE C:MET163 4.7 96.8 1.0 HE2 C:LYS173 4.8 106.3 1.0 HB2 C:ASP147 4.8 102.3 1.0 HB3 C:ASP160 4.8 99.0 1.0 H5'1 C:ADP701 4.8 72.2 1.0 HB2 C:ASP162 4.8 68.0 1.0 CB C:ASP147 4.8 84.5 1.0 HB2 C:ASP160 4.8 99.0 1.0 ND2 C:ASN152 4.9 76.8 1.0 HE3 C:LYS173 4.9 106.3 1.0 O5' C:ADP701 5.0 66.2 1.0 O2A C:ADP701 5.0 87.9 1.0

Magnesium binding site 4 out of 4 in the Legionella Pneumophila Mavq Lipid Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Legionella Pneumophila Mavq Lipid Kinase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg702 b:72.6 occ:1.00 OD2 D:ASP162 2.1 78.1 1.0 OD2 D:ASP160 2.1 79.5 1.0 O3B D:ADP701 2.4 83.1 1.0 CG D:ASP162 2.7 79.7 1.0 OD1 D:ASP162 2.8 86.2 1.0 CG D:ASP160 2.8 82.9 1.0 OD1 D:ASP160 2.9 82.8 1.0 O1B D:ADP701 2.9 74.1 1.0 PB D:ADP701 2.9 105.4 1.0 O3A D:ADP701 3.1 109.1 1.0 HZ1 D:LYS46 3.2 61.3 1.0 HZ3 D:LYS46 3.5 61.3 1.0 HE3 D:MET163 3.6 96.4 1.0 NZ D:LYS46 3.7 54.9 1.0 OD2 D:ASP147 3.9 81.8 1.0 CB D:ASP162 4.1 72.3 1.0 HD21 D:ASN152 4.1 127.0 1.0 HB3 D:ASP162 4.1 87.6 1.0 HZ2 D:LYS46 4.2 61.3 1.0 PA D:ADP701 4.2 105.9 1.0 O2A D:ADP701 4.3 83.5 1.0 CB D:ASP160 4.3 80.4 1.0 H D:ASP162 4.3 128.9 1.0 O2B D:ADP701 4.4 100.5 1.0 CE D:MET163 4.5 79.6 1.0 HB2 D:ASP162 4.5 87.6 1.0 ND2 D:ASN152 4.6 105.1 1.0 HE2 D:MET163 4.6 96.4 1.0 HB2 D:ASP160 4.6 97.4 1.0 HB3 D:ASP160 4.6 97.4 1.0 O1A D:ADP701 4.7 84.0 1.0 HE2 D:LYS46 4.8 118.4 1.0 HE1 D:MET163 4.8 96.4 1.0 HD22 D:ASN152 4.9 127.0 1.0 HG3 D:MET163 4.9 101.4 1.0 CE D:LYS46 4.9 97.9 1.0

T.S.Hsieh, V.A.Lopez, M.H.Black, A.Osinski, K.Pawlowski, D.R.Tomchick, J.Liou, V.S.Tagliabracci. Dynamic Remodeling of Host Membranes By Self-Organizing Bacterial Effectors Science 2021.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.AAY8118